3-(5-Chloro-2-methoxyphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one CAS 721418-55-9
| CAS No. | 721418-55-9 |
| Molecular Formula | C18H17ClN2O2S2 |
| Molecular Weight | 392.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(5-Chloro-2-methoxyphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one.
3-(5-Chloro-2-methoxyphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 721418-55-9) is a high-purity analytical reference standard with the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.92 g/mol.
3-(5-Chloro-2-methoxyphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (C18H17ClN2O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-(5-Chloro-2-methoxyphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H17ClN2O2S2 |
| Molecular Weight | 392.92 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chloro Standards
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Recommended Standards
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- 2-(4-Bromo-phenyl)-5-methyl-[1,3,4]oxadiazole (CAS 41421-03-8)
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- 2-(4-Aminopiperazin-1-yl)acetic acid (CAS 164785-11-9)
- 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N,N-diethyl-2H-azepin-7-amine (CAS 193151-02-9)
- (3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol (CAS 1690112-93-6)
- 2-[5-(morpholin-4-yl)-4-(prop-2-en-1-yl)-4h-1,2,4-triazol-3-yl]acetonitrile hydrobromide (CAS 1171589-44-8)
- 1,3,5-trimethyl-1H-pyrrole-2-carbaldehyde (CAS 78212-37-0)
- 3-Fluoro-5-methylisonicotinic acid (CAS 1211578-10-7)
- Allo-D-Ile17-Tirzepatide (CAS CATO-CPTD788962)
Why CATO?
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