Methyl 2-cyano-3-ethoxyacrylate
TL;DR: Methyl 2-cyano-3-ethoxyacrylate (CAS 140665-75-4) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: Methyl 2-cyano-3-ethoxyacrylate, (E)-METHYL 2-CYANO-3-ETHOXYACRYLATE, EINECS 249-432-3, methyl (E)-2-cyano-3-ethoxyprop-2-enoate, methyl 2-cyano-3-ethoxyprop-2-enoate
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 0.60338 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 202.22145 |
Chemical Identifiers
| CAS Number | 140665-75-4 |
|---|---|
| SMILES | CCO/C=C(\C#N)/C(=O)OC |
Product Overview
Methyl 2-cyano-3-ethoxyacrylate (CAS 140665-75-4), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: methyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-ethoxyacrylate
Property Insights of Methyl 2-cyano-3-ethoxyacrylate
The XLogP value of 0.60338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-ethoxyacrylate. With a topological polar surface area (TPSA) of 59.32 Ų, Methyl 2-cyano-3-ethoxyacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-3-ethoxyacrylate has 0 hydrogen bond donor(s) and 4 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-cyano-3-ethoxyacrylate?
The CAS number of Methyl 2-cyano-3-ethoxyacrylate is 140665-75-4.
What is the molecular formula of Methyl 2-cyano-3-ethoxyacrylate?
The molecular formula of Methyl 2-cyano-3-ethoxyacrylate is C7H9NO3.
What is the molecular weight of Methyl 2-cyano-3-ethoxyacrylate?
The molecular weight of Methyl 2-cyano-3-ethoxyacrylate is 155.06 g/mol.
Where can I buy Methyl 2-cyano-3-ethoxyacrylate?
You can request a quote for Methyl 2-cyano-3-ethoxyacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-ethoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-ethoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.