Phenyl cyclohexanecarboxylate
TL;DR: Phenyl cyclohexanecarboxylate (CAS 3954-12-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl cyclohexanecarboxylate
Also Known As: Phenyl cyclohexanecarboxylate, Cyclohexancarbonsaurephenylester, Phenyl cyclohexanecarboxylate #, cyclohexanecarboxylic acid phenyl ester, Cyclohexanecarboxylic acid, phenyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3954-12-9 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC=CC=C2 |
| InChIKey | OPYYWWIJPHKUDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl cyclohexanecarboxylate (CAS 3954-12-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: phenyl cyclohexanecarboxylate.
Chemical Property Profile of Phenyl cyclohexanecarboxylate
Property Insights of Phenyl cyclohexanecarboxylate
The XLogP value of 3.8 indicates that Phenyl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl cyclohexanecarboxylate has 0 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 Phenyl cyclohexanecarboxylate?
The CAS number of Phenyl cyclohexanecarboxylate is 3954-12-9.
What is the molecular formula of Phenyl cyclohexanecarboxylate?
The molecular formula of Phenyl cyclohexanecarboxylate is C13H16O2.
What is the molecular weight of Phenyl cyclohexanecarboxylate?
The molecular weight of Phenyl cyclohexanecarboxylate is 204.12 g/mol.
Where can I buy Phenyl cyclohexanecarboxylate?
You can request a quote for Phenyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.