1-Bromo-1-chloroacetone
TL;DR: 1-Bromo-1-chloroacetone (CAS 72007-33-1) is a chemical compound with molecular formula C3H4BrClO and molecular weight 169.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-1-chloropropan-2-one
Also Known As: Brom-chloracetone, 1-Bromo-1-chloroacetone, 1,1-bromochloropropanone, 1-bromo-1-chloropropan-2-one
| Molecular Formula | C3H4BrClO |
|---|---|
| Molecular Weight | 169.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.9134 |
| Heavy Atoms | 6 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 72007-33-1 |
|---|---|
| SMILES | CC(=O)C(Cl)Br |
| InChIKey | GUMGYULJBWUBGM-UHFFFAOYSA-N |
Product Overview
1-Bromo-1-chloroacetone (CAS 72007-33-1), with molecular formula C3H4BrClO and molecular weight 169.91 g/mol. IUPAC: 1-bromo-1-chloropropan-2-one.
Chemical Property Profile of 1-Bromo-1-chloroacetone
Property Insights of 1-Bromo-1-chloroacetone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-1-chloroacetone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Bromo-1-chloroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-1-chloroacetone 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-Bromo-1-chloroacetone?
The CAS number of 1-Bromo-1-chloroacetone is 72007-33-1.
What is the molecular formula of 1-Bromo-1-chloroacetone?
The molecular formula of 1-Bromo-1-chloroacetone is C3H4BrClO.
What is the molecular weight of 1-Bromo-1-chloroacetone?
The molecular weight of 1-Bromo-1-chloroacetone is 169.91 g/mol.
Where can I buy 1-Bromo-1-chloroacetone?
You can request a quote for 1-Bromo-1-chloroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-1-chloroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-1-chloroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.