(2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid
TL;DR: (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid (CAS 145513-93-5) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
Also Known As: Perindopril Impurity 49, (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid, Octahydroindole-2-Carboxylic Acid, 1H-Indole-2-carboxylicacid,octahydro-, -, Perindopril Related Compound 5 HCl (salt)
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
| SMILES | C1CC[C@@H]2[C@@H](C1)C[C@H](N2)C(=O)O |
| InChIKey | CQYBNXGHMBNGCG-RNJXMRFFSA-N |
Chemical Property Profile of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid
Property Insights of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid
The XLogP value of -0.4 indicates that (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.7 Ų, (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid?
The CAS number of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid is 145513-93-5.
What is the molecular formula of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid?
The molecular formula of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid is C9H15NO2.
What is the molecular weight of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid?
The molecular weight of (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid is 169.11028 g/mol.
Where can I buy (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid?
You can request a quote for (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,3aS,7aR)-octahydro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.