6-Benzylcyclohex-3-ene-1-carboxylic acid
TL;DR: 6-Benzylcyclohex-3-ene-1-carboxylic acid (CAS 77634-77-6) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-benzylcyclohex-3-ene-1-carboxylic acid, 6-benzylcyclohex-3-enecarboxylic acid, BAS 00658549, 6-Benzyl-cyclohex-3-enecarboxylic acid, 6-(phenylmethyl)cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C14H16O2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 2.8961 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.11504 |
| Heavy Atoms | 16 |
| Complexity | 380.98163 |
Chemical Identifiers
| CAS Number | 77634-77-6 |
|---|---|
| SMILES | C1C=CCC(C1CC2=CC=CC=C2)C(=O)O |
Product Overview
6-Benzylcyclohex-3-ene-1-carboxylic acid (CAS 77634-77-6), with molecular formula C14H16O2 and molecular weight 216.12 g/mol. IUPAC: 6-benzylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-Benzylcyclohex-3-ene-1-carboxylic acid
Property Insights of 6-Benzylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 2.8961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylcyclohex-3-ene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Benzylcyclohex-3-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzylcyclohex-3-ene-1-carboxylic 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 6-Benzylcyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-Benzylcyclohex-3-ene-1-carboxylic acid is 77634-77-6.
What is the molecular formula of 6-Benzylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-Benzylcyclohex-3-ene-1-carboxylic acid is C14H16O2.
What is the molecular weight of 6-Benzylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-Benzylcyclohex-3-ene-1-carboxylic acid is 216.12 g/mol.
Where can I buy 6-Benzylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-Benzylcyclohex-3-ene-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 6-Benzylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylcyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.