环己基苯乙酸
TL;DR: 环己基苯乙酸 (CAS 3894-09-5) 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.
环己基苯乙酸
2-cyclohexyl-2-phenylacetic acid
Also Known As: Cyclohexylphenylacetic acid, 2-cyclohexyl-2-phenylacetic acid, cyclohexyl(phenyl)acetic acid, a-Cyclohexylphenylacetic acid, alpha-Cyclohexylphenylacetic acid
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3894-09-5 |
|---|---|
| SMILES | C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O |
| InChIKey | AAJLPPDFIRPBDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己基苯乙酸 (CAS 3894-09-5), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 2-cyclohexyl-2-phenylacetic acid.
Chemical Property Profile of 环己基苯乙酸
Property Insights of 环己基苯乙酸
The XLogP value of 4.2 indicates that 环己基苯乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 环己基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己基苯乙酸 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 环己基苯乙酸?
The CAS number of 环己基苯乙酸 is 3894-09-5.
What is the molecular formula of 环己基苯乙酸?
The molecular formula of 环己基苯乙酸 is C14H18O2.
What is the molecular weight of 环己基苯乙酸?
The molecular weight of 环己基苯乙酸 is 218.13 g/mol.
Where can I buy 环己基苯乙酸?
You can request a quote for 环己基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 环己基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.