(3E)-1-bromo-3-hydroxyiminobutan-2-one
TL;DR: (3E)-1-bromo-3-hydroxyiminobutan-2-one (CAS 2840-10-0) is a chemical compound with molecular formula C4H6BrNO2 and molecular weight 178.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-bromo-3-hydroxyiminobutan-2-one
Also Known As: 1-bromobutane-2,3-dione3-oxime, 1-Bromobutane-2,3-dione 3-oxime, 1-bromobutane-2,3-dione-3-oxime, EINECS 220-631-7, 1-Bromo-3-(hydroxyimino)-2-butanone
| Molecular Formula | C4H6BrNO2 |
|---|---|
| Molecular Weight | 178.96 g/mol |
| LogP | 0.8005 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.95819 |
| Heavy Atoms | 8 |
| Complexity | 121.20672 |
Chemical Identifiers
| CAS Number | 2840-10-0 |
|---|---|
| SMILES | C/C(=N\O)/C(=O)CBr |
Product Overview
(3E)-1-bromo-3-hydroxyiminobutan-2-one (CAS 2840-10-0), with molecular formula C4H6BrNO2 and molecular weight 178.96 g/mol. IUPAC: (3E)-1-bromo-3-hydroxyiminobutan-2-one.
Chemical Property Profile of (3E)-1-bromo-3-hydroxyiminobutan-2-one
Property Insights of (3E)-1-bromo-3-hydroxyiminobutan-2-one
The XLogP value of 0.8005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-bromo-3-hydroxyiminobutan-2-one. With a topological polar surface area (TPSA) of 49.66 Ų, (3E)-1-bromo-3-hydroxyiminobutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-bromo-3-hydroxyiminobutan-2-one has 1 hydrogen bond donor(s) and 3 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 (3E)-1-bromo-3-hydroxyiminobutan-2-one?
The CAS number of (3E)-1-bromo-3-hydroxyiminobutan-2-one is 2840-10-0.
What is the molecular formula of (3E)-1-bromo-3-hydroxyiminobutan-2-one?
The molecular formula of (3E)-1-bromo-3-hydroxyiminobutan-2-one is C4H6BrNO2.
What is the molecular weight of (3E)-1-bromo-3-hydroxyiminobutan-2-one?
The molecular weight of (3E)-1-bromo-3-hydroxyiminobutan-2-one is 178.96 g/mol.
Where can I buy (3E)-1-bromo-3-hydroxyiminobutan-2-one?
You can request a quote for (3E)-1-bromo-3-hydroxyiminobutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1-bromo-3-hydroxyiminobutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-bromo-3-hydroxyiminobutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.