1,1,3-Tribromo-3-chloroacetone
TL;DR: 1,1,3-Tribromo-3-chloroacetone (CAS 55716-01-3) is a chemical compound with molecular formula C3H2Br3ClO and molecular weight 325.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-tribromo-3-chloropropan-2-one
Also Known As: 1,1,3-Tribromo-3-chloroacetone, 1,1,3-tribromo-3-chloropropan-2-one, 1,1,3-Tribrom-3-chlor-aceton, 1,1,3-Tribromo-3-chloro-2-propanone, 1,1,3-Tribromo-3-chloropropanone
| Molecular Formula | C3H2Br3ClO |
|---|---|
| Molecular Weight | 325.73 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.73444 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 55716-01-3 |
|---|---|
| SMILES | C(C(=O)C(Br)Br)(Cl)Br |
| InChIKey | XKPSFUWXVLJUDU-UHFFFAOYSA-N |
Product Overview
1,1,3-Tribromo-3-chloroacetone (CAS 55716-01-3), with molecular formula C3H2Br3ClO and molecular weight 325.73 g/mol. IUPAC: 1,1,3-tribromo-3-chloropropan-2-one.
Chemical Property Profile of 1,1,3-Tribromo-3-chloroacetone
Property Insights of 1,1,3-Tribromo-3-chloroacetone
The XLogP value of 3.1 indicates that 1,1,3-Tribromo-3-chloroacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,3-Tribromo-3-chloroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3-Tribromo-3-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 1,1,3-Tribromo-3-chloroacetone?
The CAS number of 1,1,3-Tribromo-3-chloroacetone is 55716-01-3.
What is the molecular formula of 1,1,3-Tribromo-3-chloroacetone?
The molecular formula of 1,1,3-Tribromo-3-chloroacetone is C3H2Br3ClO.
What is the molecular weight of 1,1,3-Tribromo-3-chloroacetone?
The molecular weight of 1,1,3-Tribromo-3-chloroacetone is 325.73 g/mol.
Where can I buy 1,1,3-Tribromo-3-chloroacetone?
You can request a quote for 1,1,3-Tribromo-3-chloroacetone 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-Tribromo-3-chloroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Tribromo-3-chloroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.