4'-Chloro-3'-methylacetophenone
TL;DR: 4'-Chloro-3'-methylacetophenone (CAS 37074-39-8) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-methylphenyl)ethanone
Also Known As: 1-(4-Chloro-3-methylphenyl)ethanone, 4'-Chloro-3'-methylacetophenone, 4-CHLORO-3-METHYLACETOPHENONE, Ethanone, 1-(4-chloro-3-methylphenyl)-, 4-Chloro-3-methyl acetophenone
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 37074-39-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)C)Cl |
| InChIKey | XOIGZLJCLDWTQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Chloro-3'-methylacetophenone (CAS 37074-39-8), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 1-(4-chloro-3-methylphenyl)ethanone.
Chemical Property Profile of 4'-Chloro-3'-methylacetophenone
Property Insights of 4'-Chloro-3'-methylacetophenone
The XLogP value of 3.1 indicates that 4'-Chloro-3'-methylacetophenone 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'-methylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloro-3'-methylacetophenone 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'-methylacetophenone?
The CAS number of 4'-Chloro-3'-methylacetophenone is 37074-39-8.
What is the molecular formula of 4'-Chloro-3'-methylacetophenone?
The molecular formula of 4'-Chloro-3'-methylacetophenone is C9H9ClO.
What is the molecular weight of 4'-Chloro-3'-methylacetophenone?
The molecular weight of 4'-Chloro-3'-methylacetophenone is 168.03 g/mol.
Where can I buy 4'-Chloro-3'-methylacetophenone?
You can request a quote for 4'-Chloro-3'-methylacetophenone 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'-methylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-3'-methylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.