3-Cyclohexylbutanoic acid
TL;DR: 3-Cyclohexylbutanoic acid (CAS 4361-38-0) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexylbutanoic acid
Also Known As: 3-cyclohexylbutanoic acid, 3-cyclohexylbutanoicacid, 3-cyclohexylbutyric acid, 3-cyclohexyl-butyric acid, Cyclohexanepropanoic acid, beta-methyl-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.6775 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 147.91757 |
Chemical Identifiers
| CAS Number | 4361-38-0 |
|---|---|
| SMILES | CC(CC(=O)O)C1CCCCC1 |
Product Overview
3-Cyclohexylbutanoic acid (CAS 4361-38-0), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-cyclohexylbutanoic acid.
Chemical Property Profile of 3-Cyclohexylbutanoic acid
Property Insights of 3-Cyclohexylbutanoic acid
The XLogP value of 2.6775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Cyclohexylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylbutanoic acid has 1 hydrogen bond donor(s) and 1 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 3-Cyclohexylbutanoic acid?
The CAS number of 3-Cyclohexylbutanoic acid is 4361-38-0.
What is the molecular formula of 3-Cyclohexylbutanoic acid?
The molecular formula of 3-Cyclohexylbutanoic acid is C10H18O2.
What is the molecular weight of 3-Cyclohexylbutanoic acid?
The molecular weight of 3-Cyclohexylbutanoic acid is 170.13 g/mol.
Where can I buy 3-Cyclohexylbutanoic acid?
You can request a quote for 3-Cyclohexylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.