Chloromethyl benzoate
TL;DR: Chloromethyl benzoate (CAS 5335-05-7) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl benzoate
Also Known As: Chloromethyl benzoate, Chloromethylbenzoate, Chloromethanol benzoate, Methanol, chloro-, benzoate, BENZOIC ACID CHLOROMETHYL ESTER
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 5335-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCl |
| InChIKey | BOXZXICVMMSYPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl benzoate (CAS 5335-05-7), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: chloromethyl benzoate.
Chemical Property Profile of Chloromethyl benzoate
Property Insights of Chloromethyl benzoate
The XLogP value of 3.0 indicates that Chloromethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl benzoate 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 Chloromethyl benzoate?
The CAS number of Chloromethyl benzoate is 5335-05-7.
What is the molecular formula of Chloromethyl benzoate?
The molecular formula of Chloromethyl benzoate is C8H7ClO2.
What is the molecular weight of Chloromethyl benzoate?
The molecular weight of Chloromethyl benzoate is 170.01 g/mol.
Where can I buy Chloromethyl benzoate?
You can request a quote for Chloromethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.