(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
TL;DR: (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS 87679-20-7) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
Also Known As: (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, Perindopril Impurity 32, D-Octahydroindole-2-carboxylic acid, D-Octahydroindole-2-carboxylicacid, 7193AA
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.9917 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 178.96756 |
Chemical Identifiers
| CAS Number | 87679-20-7 |
|---|---|
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@@H](N2)C(=O)O |
Product Overview
(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (CAS 87679-20-7), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: (2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid.
Chemical Property Profile of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
Property Insights of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
The XLogP value of 0.9917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.33 Ų, (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid?
The CAS number of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid is 87679-20-7.
What is the molecular formula of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid?
The molecular formula of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid is C9H15NO2.
What is the molecular weight of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid?
The molecular weight of (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid is 169.11 g/mol.
Where can I buy (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid?
You can request a quote for (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.