3-Buten-2-one, 4-amino-, (E)-
TL;DR: 3-Buten-2-one, 4-amino-, (E)- (CAS 2976-86-5) 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.
4-aminobut-3-en-2-one
Also Known As: 4-aminobutenone, 4-aminobut-3-en-2-one, amino-2-acetyl ethylene, 3-Buten-2-one, 4-amino-, (E)-, methyl beta-aminovinyl ketone
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 0.0478 |
| Topological Polar Surface Area | 43.09 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 | 2976-86-5 |
|---|---|
| SMILES | CC(=O)C=CN |
Product Overview
3-Buten-2-one, 4-amino-, (E)- (CAS 2976-86-5), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 4-aminobut-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-amino-, (E)-
Property Insights of 3-Buten-2-one, 4-amino-, (E)-
The XLogP value of 0.0478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-amino-, (E)-. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Buten-2-one, 4-amino-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-amino-, (E)- 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, 4-amino-, (E)-?
The CAS number of 3-Buten-2-one, 4-amino-, (E)- is 2976-86-5.
What is the molecular formula of 3-Buten-2-one, 4-amino-, (E)-?
The molecular formula of 3-Buten-2-one, 4-amino-, (E)- is C4H7NO.
What is the molecular weight of 3-Buten-2-one, 4-amino-, (E)-?
The molecular weight of 3-Buten-2-one, 4-amino-, (E)- is 85.05 g/mol.
Where can I buy 3-Buten-2-one, 4-amino-, (E)-?
You can request a quote for 3-Buten-2-one, 4-amino-, (E)- 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, 4-amino-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-amino-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.