3',4'-Dichloropropiophenone
TL;DR: 3',4'-Dichloropropiophenone (CAS 6097-32-1) 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-(3,4-dichlorophenyl)propan-2-one
Also Known As: 3,4-Dichlorophenylacetone, 1-(3,4-dichlorophenyl)propan-2-one, 3',4'-Dichloropropiophenone, 1-(3,4-dichlorophenyl)acetone, 3',4'-Dichlorophenylacetone
| Molecular Formula | C9H8Cl2O |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.99522 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 6097-32-1 |
|---|---|
| SMILES | CC(=O)CC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | AJUAASWQUWIMHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4'-Dichloropropiophenone (CAS 6097-32-1), with molecular formula C9H8Cl2O and molecular weight 202.00 g/mol. IUPAC: 1-(3,4-dichlorophenyl)propan-2-one.
Chemical Property Profile of 3',4'-Dichloropropiophenone
Property Insights of 3',4'-Dichloropropiophenone
The XLogP value of 3.2 indicates that 3',4'-Dichloropropiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3',4'-Dichloropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Dichloropropiophenone 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 3',4'-Dichloropropiophenone?
The CAS number of 3',4'-Dichloropropiophenone is 6097-32-1.
What is the molecular formula of 3',4'-Dichloropropiophenone?
The molecular formula of 3',4'-Dichloropropiophenone is C9H8Cl2O.
What is the molecular weight of 3',4'-Dichloropropiophenone?
The molecular weight of 3',4'-Dichloropropiophenone is 202.00 g/mol.
Where can I buy 3',4'-Dichloropropiophenone?
You can request a quote for 3',4'-Dichloropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dichloropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dichloropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.