o-Chloropropiophenone
TL;DR: o-Chloropropiophenone (CAS 6323-18-8) 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-(2-chlorophenyl)propan-1-one
Also Known As: 1-(2-chlorophenyl)propan-1-one, 2'-Chloropropiophenone, 2-Chloropropiophenone, o-chloropropiophenone, 1-Propanone, 1-(2-chlorophenyl)-
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 6323-18-8 |
|---|---|
| SMILES | CCC(=O)C1=CC=CC=C1Cl |
| InChIKey | BTSCBJDORATYKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Chloropropiophenone (CAS 6323-18-8), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 1-(2-chlorophenyl)propan-1-one.
Chemical Property Profile of o-Chloropropiophenone
Property Insights of o-Chloropropiophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chloropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, o-Chloropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chloropropiophenone 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 o-Chloropropiophenone?
The CAS number of o-Chloropropiophenone is 6323-18-8.
What is the molecular formula of o-Chloropropiophenone?
The molecular formula of o-Chloropropiophenone is C9H9ClO.
What is the molecular weight of o-Chloropropiophenone?
The molecular weight of o-Chloropropiophenone is 168.03 g/mol.
Where can I buy o-Chloropropiophenone?
You can request a quote for o-Chloropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chloropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for o-Chloropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.