(1S,2S,5R)-3-(2-Fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid CAS 1173667-00-9
| CAS No. | 1173667-00-9 |
| Molecular Formula | C13H12FNO3 |
| Molecular Weight | 249.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(1S,2S,5R)-3-(2-Fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 1173667-00-9), molecular formula C13H12FNO3 and molecular weight 249.24 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (1S,2S,5R)-3-(2-Fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (C13H12FNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 249.24 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), (1S,2S,5R)-3-(2-Fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H12FNO3 |
| Molecular Weight | 249.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 3-(2-Fluorophenyl)-5-methyl-isoxazole-4-carboxylic acid ethyl ester (CAS 1159600-04-0)
- (cis/trans)-2-(4-Benzofurazanylmethylene)-3-oxo-butanoic Acid (Methyl-d3) Ester (CAS 1185237-60-8)
- 1-(2-fluorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid (CAS 1155460-50-6)
- 2-(6-Fluoro-4-oxoquinazolin-3(4H)-yl)-N,N-dimethylacetamide (CAS 1197858-67-5)
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- 4-(((4-Methoxybenzyl)oxy)methyl)piperidine (CAS 291289-74-2)
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- Tetraphenylammonium borate (CAS 14637-34-4)
- 4-((3-Bromophenyl)sulfonyl)-N-(1-(thiophen-2-yl)ethyl)piperazine-1-carboxamide (CAS 1090528-71-4)
- 5-(Pyridin-4-yl)thiophene-2-carboxylic acid (CAS 216867-32-2)
- ethyl 1-cyano-octahydrocyclopenta[c]pyrrole-2-carboxylate (CAS 1598150-74-3)
- Semaglutide impurity 94 (CAS CATO-C4X-222694)
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