2-Butanone, 3-bromo-
TL;DR: 2-Butanone, 3-bromo- (CAS 814-75-5) is a chemical compound with molecular formula C4H7BrO and molecular weight 149.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobutan-2-one
Also Known As: 3-BROMO-2-BUTANONE, 3-Bromobutan-2-one, 2-Butanone, 3-bromo-, 3-bromobutanone, 3-bromo-2-butanon
| Molecular Formula | C4H7BrO |
|---|---|
| Molecular Weight | 149.97 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.96803 |
| Heavy Atoms | 6 |
| Complexity | 60.0 |
Chemical Identifiers
| CAS Number | 814-75-5 |
|---|---|
| SMILES | CC(C(=O)C)Br |
| InChIKey | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 3-bromo- (CAS 814-75-5), with molecular formula C4H7BrO and molecular weight 149.97 g/mol. IUPAC: 3-bromobutan-2-one.
Chemical Property Profile of 2-Butanone, 3-bromo-
Property Insights of 2-Butanone, 3-bromo-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-bromo-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-bromo- 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-bromo-?
The CAS number of 2-Butanone, 3-bromo- is 814-75-5.
What is the molecular formula of 2-Butanone, 3-bromo-?
The molecular formula of 2-Butanone, 3-bromo- is C4H7BrO.
What is the molecular weight of 2-Butanone, 3-bromo-?
The molecular weight of 2-Butanone, 3-bromo- is 149.97 g/mol.
Where can I buy 2-Butanone, 3-bromo-?
You can request a quote for 2-Butanone, 3-bromo- 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-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.