4-Aminobut-3-en-2-one
TL;DR: 4-Aminobut-3-en-2-one (CAS 2801-93-6) 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.
(E)-4-aminobut-3-en-2-one
Also Known As: 4-aminobut-3-en-2-one, (E)-4-aminobut-3-en-2-one, 4-Amino-3-buten-2-one, methyl beta-aminovinyl ketone, 3-Buten-2-one, 4-amino-
| 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 | 2801-93-6 |
|---|---|
| SMILES | CC(=O)/C=C/N |
Product Overview
4-Aminobut-3-en-2-one (CAS 2801-93-6), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: (E)-4-aminobut-3-en-2-one.
Chemical Property Profile of 4-Aminobut-3-en-2-one
Property Insights of 4-Aminobut-3-en-2-one
The XLogP value of 0.0478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminobut-3-en-2-one. With a topological polar surface area (TPSA) of 43.09 Ų, 4-Aminobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aminobut-3-en-2-one 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 4-Aminobut-3-en-2-one?
The CAS number of 4-Aminobut-3-en-2-one is 2801-93-6.
What is the molecular formula of 4-Aminobut-3-en-2-one?
The molecular formula of 4-Aminobut-3-en-2-one is C4H7NO.
What is the molecular weight of 4-Aminobut-3-en-2-one?
The molecular weight of 4-Aminobut-3-en-2-one is 85.05 g/mol.
Where can I buy 4-Aminobut-3-en-2-one?
You can request a quote for 4-Aminobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.