1,1-Dibromo-1-chloro-2-propanone
TL;DR: 1,1-Dibromo-1-chloro-2-propanone (CAS 30957-55-2) is a chemical compound with molecular formula C3H3Br2ClO and molecular weight 247.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibromo-1-chloropropan-2-one
Also Known As: 1,1-Dibromo-1-chloro-2-propanone, 1,1-dibromo-1-chloropropan-2-one, 1,1-Dibromo-1-chloroacetone, 1,1-dibromo-1-chloro-propan-2-one, InChI=1/C3H3Br2ClO/c1-2(7)3(4,5)6/h1H
| Molecular Formula | C3H3Br2ClO |
|---|---|
| Molecular Weight | 247.82 g/mol |
| LogP | 2.2578 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.82391 |
| Heavy Atoms | 7 |
| Complexity | 85.42592 |
Chemical Identifiers
| CAS Number | 30957-55-2 |
|---|---|
| SMILES | CC(=O)C(Cl)(Br)Br |
Product Overview
1,1-Dibromo-1-chloro-2-propanone (CAS 30957-55-2), with molecular formula C3H3Br2ClO and molecular weight 247.82 g/mol. IUPAC: 1,1-dibromo-1-chloropropan-2-one.
Chemical Property Profile of 1,1-Dibromo-1-chloro-2-propanone
Property Insights of 1,1-Dibromo-1-chloro-2-propanone
The XLogP value of 2.2578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dibromo-1-chloro-2-propanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1,1-Dibromo-1-chloro-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibromo-1-chloro-2-propanone 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-1-chloro-2-propanone?
The CAS number of 1,1-Dibromo-1-chloro-2-propanone is 30957-55-2.
What is the molecular formula of 1,1-Dibromo-1-chloro-2-propanone?
The molecular formula of 1,1-Dibromo-1-chloro-2-propanone is C3H3Br2ClO.
What is the molecular weight of 1,1-Dibromo-1-chloro-2-propanone?
The molecular weight of 1,1-Dibromo-1-chloro-2-propanone is 247.82 g/mol.
Where can I buy 1,1-Dibromo-1-chloro-2-propanone?
You can request a quote for 1,1-Dibromo-1-chloro-2-propanone 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-1-chloro-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibromo-1-chloro-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.