1-Methyl-3-phenylcyclohexane-1-carboxylic acid
TL;DR: 1-Methyl-3-phenylcyclohexane-1-carboxylic acid (CAS 61405-13-8) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenylcyclohexane-1-carboxylic acid
Also Known As: 1-methyl-3-phenylcyclohexane-1-carboxylic acid, 1-methyl-3-phenylcyclohexanecarboxylic acid, Cyclohexanecarboxylic acid,1-methyl-3-phenyl, Cyclohexanecarboxylic acid, 1-methyl-3-phenyl-, 1-methyl-3-phenyl-cyclohexane-1-carboxylic Acid
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.4351 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 371.58154 |
Chemical Identifiers
| CAS Number | 61405-13-8 |
|---|---|
| SMILES | CC1(CCCC(C1)C2=CC=CC=C2)C(=O)O |
Product Overview
1-Methyl-3-phenylcyclohexane-1-carboxylic acid (CAS 61405-13-8), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 1-methyl-3-phenylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid
Property Insights of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid
The XLogP value of 3.4351 indicates that 1-Methyl-3-phenylcyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Methyl-3-phenylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenylcyclohexane-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 1-Methyl-3-phenylcyclohexane-1-carboxylic acid?
The CAS number of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid is 61405-13-8.
What is the molecular formula of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid?
The molecular formula of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid is C14H18O2.
What is the molecular weight of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid?
The molecular weight of 1-Methyl-3-phenylcyclohexane-1-carboxylic acid is 218.13 g/mol.
Where can I buy 1-Methyl-3-phenylcyclohexane-1-carboxylic acid?
You can request a quote for 1-Methyl-3-phenylcyclohexane-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 1-Methyl-3-phenylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-phenylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.