Cyclohexylmandelate
TL;DR: Cyclohexylmandelate (CAS 68756-65-0) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-hydroxy-2-phenylacetate
Also Known As: cyclohexylmandelate, Cyclohexyl hydroxy(phenyl)acetate, cyclohexyl 2-hydroxy-2-phenylacetate, Phenylhydroxyacetic acid cyclohexyl ester, J1.094.423F
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 68756-65-0 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)O |
| InChIKey | HFUKYYRKDREMQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexylmandelate (CAS 68756-65-0), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: cyclohexyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Cyclohexylmandelate
Property Insights of Cyclohexylmandelate
The XLogP value of 3.0 indicates that Cyclohexylmandelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclohexylmandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylmandelate has 1 hydrogen bond donor(s) and 3 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 Cyclohexylmandelate?
The CAS number of Cyclohexylmandelate is 68756-65-0.
What is the molecular formula of Cyclohexylmandelate?
The molecular formula of Cyclohexylmandelate is C14H18O3.
What is the molecular weight of Cyclohexylmandelate?
The molecular weight of Cyclohexylmandelate is 234.13 g/mol.
Where can I buy Cyclohexylmandelate?
You can request a quote for Cyclohexylmandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylmandelate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylmandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.