Benzoic acid, 3-(chloromethyl)-, chloromethyl ester
TL;DR: Benzoic acid, 3-(chloromethyl)-, chloromethyl ester (CAS 251295-68-8) is a chemical compound with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 3-(chloromethyl)benzoate
Also Known As: Chloromethyl 3-(chloromethyl)benzoate, 3-(Chloromethyl)benzoic acid chloromethyl ester, J1.784.649C, Benzoic acid, 3-(chloromethyl)-, chloromethyl ester, RefChem:327163
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.7785 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 299.4211 |
Chemical Identifiers
| CAS Number | 251295-68-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)OCCl)CCl |
Product Overview
Benzoic acid, 3-(chloromethyl)-, chloromethyl ester (CAS 251295-68-8), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: chloromethyl 3-(chloromethyl)benzoate.
Chemical Property Profile of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester
Property Insights of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester
The XLogP value of 2.7785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(chloromethyl)-, chloromethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3-(chloromethyl)-, chloromethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(chloromethyl)-, chloromethyl 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 Benzoic acid, 3-(chloromethyl)-, chloromethyl ester?
The CAS number of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester is 251295-68-8.
What is the molecular formula of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester?
The molecular formula of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester is C9H8Cl2O2.
What is the molecular weight of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester?
The molecular weight of Benzoic acid, 3-(chloromethyl)-, chloromethyl ester is 217.99 g/mol.
Where can I buy Benzoic acid, 3-(chloromethyl)-, chloromethyl ester?
You can request a quote for Benzoic acid, 3-(chloromethyl)-, chloromethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(chloromethyl)-, chloromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(chloromethyl)-, chloromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.