2-(Cyclohex-1-en-1-yl)butanoic acid
TL;DR: 2-(Cyclohex-1-en-1-yl)butanoic acid (CAS 7461-59-8) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexen-1-yl)butanoic acid
Also Known As: 2-(cyclohex-1-en-1-yl)butanoic acid, 2- -BUTYRICACID, 2-(1-Cyclohexenyl)-Butyric Acid, 2-(cyclohexen-1-yl)butanoic acid, 2-cyclohex-1-enyl-butyric acid
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 7461-59-8 |
|---|---|
| SMILES | CCC(C1=CCCCC1)C(=O)O |
| InChIKey | IXVMRSOUDHXLMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Cyclohex-1-en-1-yl)butanoic acid (CAS 7461-59-8), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 2-(cyclohexen-1-yl)butanoic acid.
Chemical Property Profile of 2-(Cyclohex-1-en-1-yl)butanoic acid
Property Insights of 2-(Cyclohex-1-en-1-yl)butanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclohex-1-en-1-yl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Cyclohex-1-en-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclohex-1-en-1-yl)butanoic 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 2-(Cyclohex-1-en-1-yl)butanoic acid?
The CAS number of 2-(Cyclohex-1-en-1-yl)butanoic acid is 7461-59-8.
What is the molecular formula of 2-(Cyclohex-1-en-1-yl)butanoic acid?
The molecular formula of 2-(Cyclohex-1-en-1-yl)butanoic acid is C10H16O2.
What is the molecular weight of 2-(Cyclohex-1-en-1-yl)butanoic acid?
The molecular weight of 2-(Cyclohex-1-en-1-yl)butanoic acid is 168.12 g/mol.
Where can I buy 2-(Cyclohex-1-en-1-yl)butanoic acid?
You can request a quote for 2-(Cyclohex-1-en-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohex-1-en-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohex-1-en-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.