1,1,3,3-Tetrachloropropanone
TL;DR: 1,1,3,3-Tetrachloropropanone (CAS 632-21-3) is a chemical compound with molecular formula C3H2Cl4O and molecular weight 193.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3-tetrachloropropan-2-one
Also Known As: Tetrachloroacetone, 1,1,3,3-Tetrachloroacetone, 1,1,3,3-tetrachloropropan-2-one, 1,1,3,3-Tetrachloropropanone, 1,1,3,3-Tetrachloro-2-propanone
| Molecular Formula | C3H2Cl4O |
|---|---|
| Molecular Weight | 193.89 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 | 195.88303 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 632-21-3 |
|---|---|
| SMILES | C(C(=O)C(Cl)Cl)(Cl)Cl |
| InChIKey | DJWVKJAGMVZYFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,3,3-Tetrachloropropanone (CAS 632-21-3), with molecular formula C3H2Cl4O and molecular weight 193.89 g/mol. IUPAC: 1,1,3,3-tetrachloropropan-2-one.
Chemical Property Profile of 1,1,3,3-Tetrachloropropanone
Property Insights of 1,1,3,3-Tetrachloropropanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,3,3-Tetrachloropropanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,3,3-Tetrachloropropanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3,3-Tetrachloropropanone 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 1,1,3,3-Tetrachloropropanone?
The CAS number of 1,1,3,3-Tetrachloropropanone is 632-21-3.
What is the molecular formula of 1,1,3,3-Tetrachloropropanone?
The molecular formula of 1,1,3,3-Tetrachloropropanone is C3H2Cl4O.
What is the molecular weight of 1,1,3,3-Tetrachloropropanone?
The molecular weight of 1,1,3,3-Tetrachloropropanone is 193.89 g/mol.
Where can I buy 1,1,3,3-Tetrachloropropanone?
You can request a quote for 1,1,3,3-Tetrachloropropanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3,3-Tetrachloropropanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,3-Tetrachloropropanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.