Chlorobenzilate
TL;DR: Chlorobenzilate (CAS 510-15-6) is a chemical compound with molecular formula C16H14Cl2O3 and molecular weight 324.032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
Also Known As: CHLOROBENZILATE, Acaraben, Folbex, Akar, Chlorbenzylate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14Cl2O3 |
| Molecular Weight | 324.032 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.032 Da |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
| Melting Point | 95 to 99 °F (NTP, 1992) |
| Boiling Point | 313 to 316 °F at 0.07 mmHg (NTP, 1992) |
| Density | 1.2816 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 2.2e-06 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction 1.5727 at 20 °C/D |
| Solubility | less than 0.1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O |
| InChIKey | RAPBNVDSDCTNRC-UHFFFAOYSA-N |
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
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 324.032 g/mol.
Where can I buy Chlorobenzilate?
You can request a quote for Chlorobenzilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorobenzilate?
Yes, CoreyChem provides custom synthesis services for Chlorobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.