Octahydropentalene-1-carboxylic acid
TL;DR: Octahydropentalene-1-carboxylic acid (CAS 7403-22-7) 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.
1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid
Also Known As: bicyclo[3.3.01octan-2-carboxylic acid, OCTAHYDROPENTALENE-1-CARBOXYLIC ACID, 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid, Ethyl 4-methyl-2-(methylthio)thiazole-5-carboxylate
| 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 | 7403-22-7 |
|---|---|
| SMILES | C1CC2CCC(C2C1)C(=O)O |
| InChIKey | AMDLMIANEBVNEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydropentalene-1-carboxylic acid (CAS 7403-22-7), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylic acid.
Chemical Property Profile of Octahydropentalene-1-carboxylic acid
Property Insights of Octahydropentalene-1-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydropentalene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Octahydropentalene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydropentalene-1-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 Octahydropentalene-1-carboxylic acid?
The CAS number of Octahydropentalene-1-carboxylic acid is 7403-22-7.
What is the molecular formula of Octahydropentalene-1-carboxylic acid?
The molecular formula of Octahydropentalene-1-carboxylic acid is C9H14O2.
What is the molecular weight of Octahydropentalene-1-carboxylic acid?
The molecular weight of Octahydropentalene-1-carboxylic acid is 154.10 g/mol.
Where can I buy Octahydropentalene-1-carboxylic acid?
You can request a quote for Octahydropentalene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydropentalene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Octahydropentalene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.