4-Chlorophenyl cyclohexanecarboxylate
TL;DR: 4-Chlorophenyl cyclohexanecarboxylate (CAS 101068-44-4) is a chemical compound with molecular formula C13H15ClO2 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) cyclohexanecarboxylate
Also Known As: 4-chlorophenyl cyclohexanecarboxylate, (4-chlorophenyl) cyclohexanecarboxylate, cyclohexanecarboxylic 4-chlorophenyl-ester, Cyclohexanecarboxylic acid 4-chloro-phenyl ester, AO-548/41714193
| Molecular Formula | C13H15ClO2 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 3.8257 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07605 |
| Heavy Atoms | 16 |
| Complexity | 352.7003 |
Chemical Identifiers
| CAS Number | 101068-44-4 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorophenyl cyclohexanecarboxylate (CAS 101068-44-4), with molecular formula C13H15ClO2 and molecular weight 238.08 g/mol. IUPAC: (4-chlorophenyl) cyclohexanecarboxylate.
Chemical Property Profile of 4-Chlorophenyl cyclohexanecarboxylate
Property Insights of 4-Chlorophenyl cyclohexanecarboxylate
The XLogP value of 3.8257 indicates that 4-Chlorophenyl 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, 4-Chlorophenyl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 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 4-Chlorophenyl cyclohexanecarboxylate?
The CAS number of 4-Chlorophenyl cyclohexanecarboxylate is 101068-44-4.
What is the molecular formula of 4-Chlorophenyl cyclohexanecarboxylate?
The molecular formula of 4-Chlorophenyl cyclohexanecarboxylate is C13H15ClO2.
What is the molecular weight of 4-Chlorophenyl cyclohexanecarboxylate?
The molecular weight of 4-Chlorophenyl cyclohexanecarboxylate is 238.08 g/mol.
Where can I buy 4-Chlorophenyl cyclohexanecarboxylate?
You can request a quote for 4-Chlorophenyl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.