3-Buten-2-one, oxime
TL;DR: 3-Buten-2-one, oxime (CAS 28051-70-9) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-but-3-en-2-ylidenehydroxylamine
Also Known As: methyl vinyl ketoxime, 3-Buten-2-one, oxime, 3-Butene-2-one oxime, but-3-en-2-one oxime, (2E)-3-Buten-2-one oxime #
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 1.0225 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 75.61727 |
Chemical Identifiers
| CAS Number | 28051-70-9 |
|---|---|
| SMILES | C/C(=N\O)/C=C |
Product Overview
3-Buten-2-one, oxime (CAS 28051-70-9), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: (NE)-N-but-3-en-2-ylidenehydroxylamine.
Chemical Property Profile of 3-Buten-2-one, oxime
Property Insights of 3-Buten-2-one, oxime
The XLogP value of 1.0225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Buten-2-one, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, oxime has 1 hydrogen bond donor(s) and 2 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 3-Buten-2-one, oxime?
The CAS number of 3-Buten-2-one, oxime is 28051-70-9.
What is the molecular formula of 3-Buten-2-one, oxime?
The molecular formula of 3-Buten-2-one, oxime is C4H7NO.
What is the molecular weight of 3-Buten-2-one, oxime?
The molecular weight of 3-Buten-2-one, oxime is 85.05 g/mol.
Where can I buy 3-Buten-2-one, oxime?
You can request a quote for 3-Buten-2-one, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.