4-(Chloromethyl)benzoate
TL;DR: 4-(Chloromethyl)benzoate (CAS 1201-90-7) is a chemical compound with molecular formula C8H6ClO2- and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)benzoate
Also Known As: 4-(chloromethyl)benzoate, Sodium 4-(chloromethyl)benzoate
| Molecular Formula | C8H6ClO2- |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | 0.7889 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.00563 |
| Heavy Atoms | 11 |
| Complexity | 253.2995 |
Chemical Identifiers
| CAS Number | 1201-90-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)C(=O)[O-] |
Product Overview
4-(Chloromethyl)benzoate (CAS 1201-90-7), with molecular formula C8H6ClO2- and molecular weight 169.01 g/mol. IUPAC: 4-(chloromethyl)benzoate.
Chemical Property Profile of 4-(Chloromethyl)benzoate
Property Insights of 4-(Chloromethyl)benzoate
The XLogP value of 0.7889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)benzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 4-(Chloromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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 4-(Chloromethyl)benzoate?
The CAS number of 4-(Chloromethyl)benzoate is 1201-90-7.
What is the molecular formula of 4-(Chloromethyl)benzoate?
The molecular formula of 4-(Chloromethyl)benzoate is C8H6ClO2-.
What is the molecular weight of 4-(Chloromethyl)benzoate?
The molecular weight of 4-(Chloromethyl)benzoate is 169.01 g/mol.
Where can I buy 4-(Chloromethyl)benzoate?
You can request a quote for 4-(Chloromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.