Phenylmethyl cyclohexanecarboxylate
TL;DR: Phenylmethyl cyclohexanecarboxylate (CAS 22733-94-4) 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.
benzyl cyclohexanecarboxylate
Also Known As: Benzyl cyclohexanecarboxylate, benzylcyclohexanecarboxylate, Phenylmethyl cyclohexanecarboxylate, Benzyl cyclohexanecarboxylate #, Cyclohexanecarboxylic acid, benzyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 22733-94-4 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | MWAICOLEKXKHAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylmethyl cyclohexanecarboxylate (CAS 22733-94-4), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: benzyl cyclohexanecarboxylate.
Chemical Property Profile of Phenylmethyl cyclohexanecarboxylate
Property Insights of Phenylmethyl cyclohexanecarboxylate
The XLogP value of 3.7 indicates that Phenylmethyl 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, Phenylmethyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethyl 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 Phenylmethyl cyclohexanecarboxylate?
The CAS number of Phenylmethyl cyclohexanecarboxylate is 22733-94-4.
What is the molecular formula of Phenylmethyl cyclohexanecarboxylate?
The molecular formula of Phenylmethyl cyclohexanecarboxylate is C14H18O2.
What is the molecular weight of Phenylmethyl cyclohexanecarboxylate?
The molecular weight of Phenylmethyl cyclohexanecarboxylate is 218.13 g/mol.
Where can I buy Phenylmethyl cyclohexanecarboxylate?
You can request a quote for Phenylmethyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.