Methyl 2-ethylbuta-2,3-dienoate
TL;DR: Methyl 2-ethylbuta-2,3-dienoate (CAS 35895-72-8) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethylbuta-2,3-dienoate
Also Known As: methyl 2-ethylbuta-2,3-dienoate, Methyl 2-ethyl-2,3-butadienoate, 2,3-butadienoic acid, 2-ethyl-, methyl ester, 2,3-BUTADIENOIC ACID,2-ETHYL,METHYL ESTER, InChI=1/C7H10O2/c1-4-6(5-2)7(8)9-3/h1,5H2,2-3H
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 35895-72-8 |
|---|---|
| SMILES | CCC(=C=C)C(=O)OC |
| InChIKey | SWXUGBJJGODJSG-UHFFFAOYSA-N |
Product Overview
Methyl 2-ethylbuta-2,3-dienoate (CAS 35895-72-8), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: methyl 2-ethylbuta-2,3-dienoate.
Chemical Property Profile of Methyl 2-ethylbuta-2,3-dienoate
Property Insights of Methyl 2-ethylbuta-2,3-dienoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-ethylbuta-2,3-dienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-ethylbuta-2,3-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-ethylbuta-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 2-ethylbuta-2,3-dienoate?
The CAS number of Methyl 2-ethylbuta-2,3-dienoate is 35895-72-8.
What is the molecular formula of Methyl 2-ethylbuta-2,3-dienoate?
The molecular formula of Methyl 2-ethylbuta-2,3-dienoate is C7H10O2.
What is the molecular weight of Methyl 2-ethylbuta-2,3-dienoate?
The molecular weight of Methyl 2-ethylbuta-2,3-dienoate is 126.07 g/mol.
Where can I buy Methyl 2-ethylbuta-2,3-dienoate?
You can request a quote for Methyl 2-ethylbuta-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 2-ethylbuta-2,3-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-ethylbuta-2,3-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.