(E)-4-hydroxybut-3-en-2-one
TL;DR: (E)-4-hydroxybut-3-en-2-one (CAS 42783-45-9) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxybut-3-en-2-one
Also Known As: Oxymethylenaceton, 4-hydroxybut-3-en-2-one, 4-Hydroxy-3-buten-2-one, (E)-4-hydroxybut-3-en-2-one
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | 0.6471 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 73.61727 |
Chemical Identifiers
| CAS Number | 42783-45-9 |
|---|---|
| SMILES | CC(=O)/C=C/O |
Product Overview
(E)-4-hydroxybut-3-en-2-one (CAS 42783-45-9), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: (E)-4-hydroxybut-3-en-2-one.
Chemical Property Profile of (E)-4-hydroxybut-3-en-2-one
Property Insights of (E)-4-hydroxybut-3-en-2-one
The XLogP value of 0.6471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-hydroxybut-3-en-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-4-hydroxybut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-hydroxybut-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 (E)-4-hydroxybut-3-en-2-one?
The CAS number of (E)-4-hydroxybut-3-en-2-one is 42783-45-9.
What is the molecular formula of (E)-4-hydroxybut-3-en-2-one?
The molecular formula of (E)-4-hydroxybut-3-en-2-one is C4H6O2.
What is the molecular weight of (E)-4-hydroxybut-3-en-2-one?
The molecular weight of (E)-4-hydroxybut-3-en-2-one is 86.04 g/mol.
Where can I buy (E)-4-hydroxybut-3-en-2-one?
You can request a quote for (E)-4-hydroxybut-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 (E)-4-hydroxybut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-hydroxybut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.