2,3-Butanedione monoxime
TL;DR: 2,3-Butanedione monoxime (CAS 76584-70-8) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-hydroxyiminobutan-2-one
Also Known As: Diacetyl monoxime, Diacetylmonoxime, 2,3-butanedione monoxime, Biacetyl monoxime, Biacetyl monooxime
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.4255 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 106.25742 |
Chemical Identifiers
| CAS Number | 76584-70-8 |
|---|---|
| SMILES | C/C(=N\O)/C(=O)C |
Product Overview
2,3-Butanedione monoxime (CAS 76584-70-8), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: (3E)-3-hydroxyiminobutan-2-one.
Chemical Property Profile of 2,3-Butanedione monoxime
Property Insights of 2,3-Butanedione monoxime
The XLogP value of 0.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Butanedione monoxime. With a topological polar surface area (TPSA) of 49.66 Ų, 2,3-Butanedione monoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Butanedione monoxime 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 2,3-Butanedione monoxime?
The CAS number of 2,3-Butanedione monoxime is 76584-70-8.
What is the molecular formula of 2,3-Butanedione monoxime?
The molecular formula of 2,3-Butanedione monoxime is C4H7NO2.
What is the molecular weight of 2,3-Butanedione monoxime?
The molecular weight of 2,3-Butanedione monoxime is 101.05 g/mol.
Where can I buy 2,3-Butanedione monoxime?
You can request a quote for 2,3-Butanedione monoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Butanedione monoxime?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Butanedione monoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.