Methyl 3-ethoxybut-2-enoate
TL;DR: Methyl 3-ethoxybut-2-enoate (CAS 85153-65-7) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethoxybut-2-enoate
Also Known As: methyl 3-ethoxybut-2-enoate, Methyl 3-ethoxy-2-butenoate, 2-Butenoic acid,3-ethoxy-, methyl ester
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.0997 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 137.78665 |
Chemical Identifiers
| CAS Number | 85153-65-7 |
|---|---|
| SMILES | CCOC(=CC(=O)OC)C |
Product Overview
Methyl 3-ethoxybut-2-enoate (CAS 85153-65-7), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl 3-ethoxybut-2-enoate.
Chemical Property Profile of Methyl 3-ethoxybut-2-enoate
Property Insights of Methyl 3-ethoxybut-2-enoate
The XLogP value of 1.0997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-ethoxybut-2-enoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 3-ethoxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-ethoxybut-2-enoate has 0 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 3-ethoxybut-2-enoate?
The CAS number of Methyl 3-ethoxybut-2-enoate is 85153-65-7.
What is the molecular formula of Methyl 3-ethoxybut-2-enoate?
The molecular formula of Methyl 3-ethoxybut-2-enoate is C7H12O3.
What is the molecular weight of Methyl 3-ethoxybut-2-enoate?
The molecular weight of Methyl 3-ethoxybut-2-enoate is 144.08 g/mol.
Where can I buy Methyl 3-ethoxybut-2-enoate?
You can request a quote for Methyl 3-ethoxybut-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 3-ethoxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethoxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.