1,1-Dibromo-3,3-dichloroacetone
TL;DR: 1,1-Dibromo-3,3-dichloroacetone (CAS 62874-83-3) is a chemical compound with molecular formula C3H2Br2Cl2O and molecular weight 281.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibromo-3,3-dichloropropan-2-one
Also Known As: 1,1-Dibromo-3,3-dichloroacetone, 1,1-dibromo-3,3-dichloropropan-2-one, 1,1-Dibromo-3,3-dichloropropanone, 1,1-Dibromo-3,3-dichloroacetone #, 1,1-Dibromo-3,3-dichloro-2-propanone
| Molecular Formula | C3H2Br2Cl2O |
|---|---|
| Molecular Weight | 281.78 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.78494 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 62874-83-3 |
|---|---|
| SMILES | C(C(=O)C(Br)Br)(Cl)Cl |
| InChIKey | PPGIXBRQOKVAOF-UHFFFAOYSA-N |
Product Overview
1,1-Dibromo-3,3-dichloroacetone (CAS 62874-83-3), with molecular formula C3H2Br2Cl2O and molecular weight 281.78 g/mol. IUPAC: 1,1-dibromo-3,3-dichloropropan-2-one.
Chemical Property Profile of 1,1-Dibromo-3,3-dichloroacetone
Property Insights of 1,1-Dibromo-3,3-dichloroacetone
The XLogP value of 3.0 indicates that 1,1-Dibromo-3,3-dichloroacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1-Dibromo-3,3-dichloroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibromo-3,3-dichloroacetone 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-Dibromo-3,3-dichloroacetone?
The CAS number of 1,1-Dibromo-3,3-dichloroacetone is 62874-83-3.
What is the molecular formula of 1,1-Dibromo-3,3-dichloroacetone?
The molecular formula of 1,1-Dibromo-3,3-dichloroacetone is C3H2Br2Cl2O.
What is the molecular weight of 1,1-Dibromo-3,3-dichloroacetone?
The molecular weight of 1,1-Dibromo-3,3-dichloroacetone is 281.78 g/mol.
Where can I buy 1,1-Dibromo-3,3-dichloroacetone?
You can request a quote for 1,1-Dibromo-3,3-dichloroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibromo-3,3-dichloroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibromo-3,3-dichloroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.