2-Chloropropiophenone
TL;DR: 2-Chloropropiophenone (CAS 60027-51-2) 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.
2-chloro-1-phenylpropan-1-one
Also Known As: 2-Chloropropiophenone, 2-chloro-1-phenylpropan-1-one, chloropropiophenone, b-Chloropropiophenone, 3-Chloropropiophenone
| 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 | 138.0 |
Chemical Identifiers
| CAS Number | 60027-51-2 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)Cl |
| InChIKey | AXCPQHPNAZONTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloropropiophenone (CAS 60027-51-2), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 2-chloro-1-phenylpropan-1-one.
Chemical Property Profile of 2-Chloropropiophenone
Property Insights of 2-Chloropropiophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Chloropropiophenone?
The CAS number of 2-Chloropropiophenone is 60027-51-2.
What is the molecular formula of 2-Chloropropiophenone?
The molecular formula of 2-Chloropropiophenone is C9H9ClO.
What is the molecular weight of 2-Chloropropiophenone?
The molecular weight of 2-Chloropropiophenone is 168.03 g/mol.
Where can I buy 2-Chloropropiophenone?
You can request a quote for 2-Chloropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.