Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid
TL;DR: Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid (CAS 32789-48-3) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxylic acid
Also Known As: octahydropentalene-3a-carboxylic acid, Bicyclo[3.3.0]octane-1-carboxylic acid, (3ar,6ar)-octahydropentalene-3a-carboxylic acid, bicyclo[3.3.0]octane carboxylic acid, hexahydropentalene-3a(1h)-carboxylic acid
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 32789-48-3 |
|---|---|
| SMILES | C1CC2CCCC2(C1)C(=O)O |
| InChIKey | YKMRFAVKKGGQFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid (CAS 32789-48-3), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxylic acid.
Chemical Property Profile of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid
Property Insights of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rac-(3ar,6ar)-octahydropentalene-3a-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
Frequently Asked Questions
What is the CAS number of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid?
The CAS number of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid is 32789-48-3.
What is the molecular formula of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid?
The molecular formula of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid is C9H14O2.
What is the molecular weight of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid?
The molecular weight of Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid is 154.10 g/mol.
Where can I buy Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid?
You can request a quote for Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Rac-(3ar,6ar)-octahydropentalene-3a-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.