3'-Chloro-4'-methoxyacetophenone
TL;DR: 3'-Chloro-4'-methoxyacetophenone (CAS 37612-52-5) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methoxyphenyl)ethanone
Also Known As: 3-Chloro-4-methoxyacetophenone, 1-(3-Chloro-4-methoxyphenyl)ethanone, 3'-Chloro-4'-methoxyacetophenone, 1-(3-chloro-4-methoxyphenyl)ethan-1-one, 4-acetyl-2-chloroanisole
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 37612-52-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)Cl |
| InChIKey | QILWOKAXHOAFOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Chloro-4'-methoxyacetophenone (CAS 37612-52-5), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: 1-(3-chloro-4-methoxyphenyl)ethanone.
Chemical Property Profile of 3'-Chloro-4'-methoxyacetophenone
Property Insights of 3'-Chloro-4'-methoxyacetophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Chloro-4'-methoxyacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 3'-Chloro-4'-methoxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chloro-4'-methoxyacetophenone 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 3'-Chloro-4'-methoxyacetophenone?
The CAS number of 3'-Chloro-4'-methoxyacetophenone is 37612-52-5.
What is the molecular formula of 3'-Chloro-4'-methoxyacetophenone?
The molecular formula of 3'-Chloro-4'-methoxyacetophenone is C9H9ClO2.
What is the molecular weight of 3'-Chloro-4'-methoxyacetophenone?
The molecular weight of 3'-Chloro-4'-methoxyacetophenone is 184.03 g/mol.
Where can I buy 3'-Chloro-4'-methoxyacetophenone?
You can request a quote for 3'-Chloro-4'-methoxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chloro-4'-methoxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloro-4'-methoxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.