2-Butanone, 3,3-dibromo-
TL;DR: 2-Butanone, 3,3-dibromo- (CAS 2648-69-3) is a chemical compound with molecular formula CC(=O)C(C)(Br)Br and molecular weight 227.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dibromobutan-2-one
Also Known As: 3,3-dibromobutan-2-one, 2-Butanone, 3,3-dibromo-, 3,3-Dibromo-2-butanone, 3,3-dibromobutane-2-one, InChI=1/C4H6Br2O/c1-3(7)4(2,5)6/h1-2H
| Molecular Formula | CC(=O)C(C)(Br)Br |
|---|---|
| Molecular Weight | 227.88 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.87854 |
| Heavy Atoms | 7 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 2648-69-3 |
|---|---|
| SMILES | CC(=O)C(C)(Br)Br |
| InChIKey | DNVZPZWJCRLJFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 3,3-dibromo- (CAS 2648-69-3), with molecular formula CC(=O)C(C)(Br)Br and molecular weight 227.88 g/mol. IUPAC: 3,3-dibromobutan-2-one.
Chemical Property Profile of 2-Butanone, 3,3-dibromo-
Property Insights of 2-Butanone, 3,3-dibromo-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3,3-dibromo-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone, 3,3-dibromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3,3-dibromo- 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 2-Butanone, 3,3-dibromo-?
The CAS number of 2-Butanone, 3,3-dibromo- is 2648-69-3.
What is the molecular formula of 2-Butanone, 3,3-dibromo-?
The molecular formula of 2-Butanone, 3,3-dibromo- is CC(=O)C(C)(Br)Br.
What is the molecular weight of 2-Butanone, 3,3-dibromo-?
The molecular weight of 2-Butanone, 3,3-dibromo- is 227.88 g/mol.
Where can I buy 2-Butanone, 3,3-dibromo-?
You can request a quote for 2-Butanone, 3,3-dibromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3,3-dibromo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3,3-dibromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.