methyl (2E)-4-hydroxybut-2-enoate
TL;DR: methyl (2E)-4-hydroxybut-2-enoate (CAS 4508-99-0) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-hydroxybut-2-enoate
Also Known As: methyl (E)-4-hydroxybut-2-enoate, methyl-4-oxybutenoate, methyl 4-hydroxybut-2-enoate, METHYL (2E)-4-HYDROXYBUT-2-ENOATE, methyl gamma-hydroxycrotonate
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | -0.2921 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 95.8469 |
Chemical Identifiers
| CAS Number | 4508-99-0 |
|---|---|
| SMILES | COC(=O)/C=C/CO |
Product Overview
methyl (2E)-4-hydroxybut-2-enoate (CAS 4508-99-0), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: methyl (E)-4-hydroxybut-2-enoate.
Chemical Property Profile of methyl (2E)-4-hydroxybut-2-enoate
Property Insights of methyl (2E)-4-hydroxybut-2-enoate
The XLogP value of -0.2921 indicates that methyl (2E)-4-hydroxybut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.53 Ų, methyl (2E)-4-hydroxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-4-hydroxybut-2-enoate 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 methyl (2E)-4-hydroxybut-2-enoate?
The CAS number of methyl (2E)-4-hydroxybut-2-enoate is 4508-99-0.
What is the molecular formula of methyl (2E)-4-hydroxybut-2-enoate?
The molecular formula of methyl (2E)-4-hydroxybut-2-enoate is C5H8O3.
What is the molecular weight of methyl (2E)-4-hydroxybut-2-enoate?
The molecular weight of methyl (2E)-4-hydroxybut-2-enoate is 116.05 g/mol.
Where can I buy methyl (2E)-4-hydroxybut-2-enoate?
You can request a quote for methyl (2E)-4-hydroxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-4-hydroxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-4-hydroxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.