4-Chloro-3-methylphenacyl chloride
TL;DR: 4-Chloro-3-methylphenacyl chloride (CAS 157652-32-9) is a chemical compound with molecular formula C9H8Cl2O and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-chloro-3-methylphenyl)ethanone
Also Known As: 4-Chloro-3-methylphenacyl chloride, 2-Chloro-1-(4-chloro-3-methylphenyl)ethanone, Ethanone,2-chloro-1- -, 2-Chloro-1-(4-chloro-3-methylphenyl)ethan-1-one, 2,4-dichloro-3-methylacetophenone
| Molecular Formula | C9H8Cl2O |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.99522 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 157652-32-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)CCl)Cl |
| InChIKey | XEUXCKGGBTVKCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-methylphenacyl chloride (CAS 157652-32-9), with molecular formula C9H8Cl2O and molecular weight 202.00 g/mol. IUPAC: 2-chloro-1-(4-chloro-3-methylphenyl)ethanone.
Chemical Property Profile of 4-Chloro-3-methylphenacyl chloride
Property Insights of 4-Chloro-3-methylphenacyl chloride
The XLogP value of 3.8 indicates that 4-Chloro-3-methylphenacyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-3-methylphenacyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylphenacyl chloride has 0 hydrogen bond donor(s) and 1 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-Chloro-3-methylphenacyl chloride?
The CAS number of 4-Chloro-3-methylphenacyl chloride is 157652-32-9.
What is the molecular formula of 4-Chloro-3-methylphenacyl chloride?
The molecular formula of 4-Chloro-3-methylphenacyl chloride is C9H8Cl2O.
What is the molecular weight of 4-Chloro-3-methylphenacyl chloride?
The molecular weight of 4-Chloro-3-methylphenacyl chloride is 202.00 g/mol.
Where can I buy 4-Chloro-3-methylphenacyl chloride?
You can request a quote for 4-Chloro-3-methylphenacyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methylphenacyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methylphenacyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.