1-Chloro-3-(4-chlorophenyl)propan-2-one
TL;DR: 1-Chloro-3-(4-chlorophenyl)propan-2-one (CAS 33107-83-4) is a chemical compound with molecular formula C9H8Cl2O and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4-chlorophenyl)propan-2-one
Also Known As: 1-chloro-3-(4-chlorophenyl)propan-2-one, 1-(4ClPh)-3Cl-Pr-2-one, p-Chlorobenzyl(chloromethyl) ketone, 1-Chloro-3-(4-chlorophenyl)acetone, 2-Propanone, 1-chloro-3-(p-chlorophenyl)-
| Molecular Formula | C9H8Cl2O |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.99522 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 33107-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)CCl)Cl |
| InChIKey | ABTYPOQRRMEIMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-(4-chlorophenyl)propan-2-one (CAS 33107-83-4), with molecular formula C9H8Cl2O and molecular weight 202.00 g/mol. IUPAC: 1-chloro-3-(4-chlorophenyl)propan-2-one.
Chemical Property Profile of 1-Chloro-3-(4-chlorophenyl)propan-2-one
Property Insights of 1-Chloro-3-(4-chlorophenyl)propan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(4-chlorophenyl)propan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-3-(4-chlorophenyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(4-chlorophenyl)propan-2-one 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-Chloro-3-(4-chlorophenyl)propan-2-one?
The CAS number of 1-Chloro-3-(4-chlorophenyl)propan-2-one is 33107-83-4.
What is the molecular formula of 1-Chloro-3-(4-chlorophenyl)propan-2-one?
The molecular formula of 1-Chloro-3-(4-chlorophenyl)propan-2-one is C9H8Cl2O.
What is the molecular weight of 1-Chloro-3-(4-chlorophenyl)propan-2-one?
The molecular weight of 1-Chloro-3-(4-chlorophenyl)propan-2-one is 202.00 g/mol.
Where can I buy 1-Chloro-3-(4-chlorophenyl)propan-2-one?
You can request a quote for 1-Chloro-3-(4-chlorophenyl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(4-chlorophenyl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(4-chlorophenyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.