3-methoxybut-2-enoic acid
TL;DR: 3-methoxybut-2-enoic acid (CAS 67107-76-0) 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.
3-methoxybut-2-enoic acid
Also Known As: 3-methoxybut-2-enoic acid, (Z)-beta-methoxymethacrylic acid, (E)-3-Methoxy-2-butenoic acid, 3-METHOXY-2-BUTENOIC ACID, 2-Butenoic acid, 3-methoxy-, (2E)-
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.6212 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 114.84219 |
Chemical Identifiers
| CAS Number | 67107-76-0 |
|---|---|
| SMILES | CC(=CC(=O)O)OC |
Product Overview
3-methoxybut-2-enoic acid (CAS 67107-76-0), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 3-methoxybut-2-enoic acid.
Chemical Property Profile of 3-methoxybut-2-enoic acid
Property Insights of 3-methoxybut-2-enoic acid
The XLogP value of 0.6212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxybut-2-enoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-methoxybut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxybut-2-enoic acid 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-methoxybut-2-enoic acid?
The CAS number of 3-methoxybut-2-enoic acid is 67107-76-0.
What is the molecular formula of 3-methoxybut-2-enoic acid?
The molecular formula of 3-methoxybut-2-enoic acid is C5H8O3.
What is the molecular weight of 3-methoxybut-2-enoic acid?
The molecular weight of 3-methoxybut-2-enoic acid is 116.05 g/mol.
Where can I buy 3-methoxybut-2-enoic acid?
You can request a quote for 3-methoxybut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxybut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxybut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.