1-(3-Chlorophenyl)ethanone
TL;DR: 1-(3-Chlorophenyl)ethanone (CAS 99-02-5) is a chemical compound with molecular formula C8H7ClO and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)ethanone
Also Known As: 3'-Chloroacetophenone, 1-(3-Chlorophenyl)ethanone, m-Chloroacetophenone, 3-chloroacetophenone, 1-(3-Chlorophenyl)ethan-1-one
| Molecular Formula | C8H7ClO |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.01854 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 99-02-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | UUWJBXKHMMQDED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chlorophenyl)ethanone (CAS 99-02-5), with molecular formula C8H7ClO and molecular weight 154.02 g/mol. IUPAC: 1-(3-chlorophenyl)ethanone.
Chemical Property Profile of 1-(3-Chlorophenyl)ethanone
Property Insights of 1-(3-Chlorophenyl)ethanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3-Chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)ethanone 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 1-(3-Chlorophenyl)ethanone?
The CAS number of 1-(3-Chlorophenyl)ethanone is 99-02-5.
What is the molecular formula of 1-(3-Chlorophenyl)ethanone?
The molecular formula of 1-(3-Chlorophenyl)ethanone is C8H7ClO.
What is the molecular weight of 1-(3-Chlorophenyl)ethanone?
The molecular weight of 1-(3-Chlorophenyl)ethanone is 154.02 g/mol.
Where can I buy 1-(3-Chlorophenyl)ethanone?
You can request a quote for 1-(3-Chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.