Methyl buta-2,3-dienoate
TL;DR: Methyl buta-2,3-dienoate (CAS 18913-35-4) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl buta-2,3-dienoate
Also Known As: methyl buta-2,3-dienoate, methyl allenecarboxylate, 2,3-butadienoic acid, methyl ester, 2,3-Butadienoic acid,methyl ester, methyl 2,3-butadienoate
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 18913-35-4 |
|---|---|
| SMILES | COC(=O)C=C=C |
| InChIKey | CYKLAQPZTQQBJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl buta-2,3-dienoate (CAS 18913-35-4), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: methyl buta-2,3-dienoate.
Chemical Property Profile of Methyl buta-2,3-dienoate
Property Insights of Methyl buta-2,3-dienoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl buta-2,3-dienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl buta-2,3-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl buta-2,3-dienoate has 0 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 Methyl buta-2,3-dienoate?
The CAS number of Methyl buta-2,3-dienoate is 18913-35-4.
What is the molecular formula of Methyl buta-2,3-dienoate?
The molecular formula of Methyl buta-2,3-dienoate is C5H6O2.
What is the molecular weight of Methyl buta-2,3-dienoate?
The molecular weight of Methyl buta-2,3-dienoate is 98.04 g/mol.
Where can I buy Methyl buta-2,3-dienoate?
You can request a quote for Methyl buta-2,3-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl buta-2,3-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl buta-2,3-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.