1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one
TL;DR: 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one (CAS 34987-36-5) 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.
1-[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]ethanone
Also Known As: 1-(5-Chloro-3-chloromethyl-2-hydroxy-phenyl)-ethanone, 1- -ETHANONE, 1-[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]ethan-1-one, 1-[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]ethanone, 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethanone
| Molecular Formula | C9H8Cl2O2 |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.987 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.99013 |
| Heavy Atoms | 13 |
| Complexity | 347.7131 |
Chemical Identifiers
| CAS Number | 34987-36-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1O)CCl)Cl |
Product Overview
1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one (CAS 34987-36-5), with molecular formula C9H8Cl2O2 and molecular weight 217.99 g/mol. IUPAC: 1-[5-chloro-3-(chloromethyl)-2-hydroxyphenyl]ethanone.
Chemical Property Profile of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one
Property Insights of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one
The XLogP value of 2.987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one has 1 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 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one?
The CAS number of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one is 34987-36-5.
What is the molecular formula of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one?
The molecular formula of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one is C9H8Cl2O2.
What is the molecular weight of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one?
The molecular weight of 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one is 217.99 g/mol.
Where can I buy 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one?
You can request a quote for 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-3-(chloromethyl)-2-hydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.