Benzeneacetic acid, cyclohexyl ester
TL;DR: Benzeneacetic acid, cyclohexyl ester (CAS 42288-75-5) 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.
cyclohexyl 2-phenylacetate
Also Known As: Cyclohexyl phenylacetate, cyclohexyl 2-phenylacetate, Benzeneacetic acid, cyclohexyl ester, cyclohexyl phenyl acetate, CYCLOHEXYL-PHENYLACETATE
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.5 |
| 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 | 42288-75-5 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CC2=CC=CC=C2 |
| InChIKey | MNEAZOGMEQUJER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, cyclohexyl ester (CAS 42288-75-5), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: cyclohexyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, cyclohexyl ester
Property Insights of Benzeneacetic acid, cyclohexyl ester
The XLogP value of 3.5 indicates that Benzeneacetic acid, cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, cyclohexyl ester 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 Benzeneacetic acid, cyclohexyl ester?
The CAS number of Benzeneacetic acid, cyclohexyl ester is 42288-75-5.
What is the molecular formula of Benzeneacetic acid, cyclohexyl ester?
The molecular formula of Benzeneacetic acid, cyclohexyl ester is C14H18O2.
What is the molecular weight of Benzeneacetic acid, cyclohexyl ester?
The molecular weight of Benzeneacetic acid, cyclohexyl ester is 218.13 g/mol.
Where can I buy Benzeneacetic acid, cyclohexyl ester?
You can request a quote for Benzeneacetic acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.