Chlorobenzilate
TL;DR: Chlorobenzilate (CAS 510-15-6) is a chemical compound with molecular formula C16H14Cl2O3 and molecular weight 324.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
Also Known As: CHLOROBENZILATE, Acaraben, Folbex, Akar, Chlorbenzylate
| Molecular Formula | C16H14Cl2O3 |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.032 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
| Melting Point | 95 to 37.2 °C |
| Boiling Point | 313 to 157.8 °C at 0.07 mmHg |
| Density | 1.2816 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 2.2e-06 mmHg at 20.0 °C |
| Refractive Index | 1.5727 at 20 °C |
Chemical Identifiers
| CAS Number | 510-15-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O |
| InChIKey | RAPBNVDSDCTNRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorobenzilate (CAS 510-15-6), with molecular formula C16H14Cl2O3 and molecular weight 324.03 g/mol. IUPAC: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.
Chemical Property Profile of Chlorobenzilate
Property Insights of Chlorobenzilate
The XLogP value of 4.3 indicates that Chlorobenzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Chlorobenzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorobenzilate 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 Chlorobenzilate?
The CAS number of Chlorobenzilate is 510-15-6.
What is the molecular formula of Chlorobenzilate?
The molecular formula of Chlorobenzilate is C16H14Cl2O3.
What is the molecular weight of Chlorobenzilate?
The molecular weight of Chlorobenzilate is 324.03 g/mol.
Where can I buy Chlorobenzilate?
You can request a quote for Chlorobenzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorobenzilate?
Yes, KEHONG BIO provides custom synthesis services for Chlorobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.