Methyl 2-cyano-3-methoxyacrylate
TL;DR: Methyl 2-cyano-3-methoxyacrylate (CAS 55883-89-1) is a chemical compound with molecular formula C6H7NO3 and molecular weight 141.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-methoxyprop-2-enoate
Also Known As: Methyl 2-cyano-3-methoxyacrylate, Methyl2-cyano-3-methoxyacrylate, Methyl (E)-2-cyano-3-methoxyacrylate, methyl (E)-2-cyano-3-methoxyprop-2-enoate, 2-Cyano-3-methoxyacrylic acid methyl ester
| Molecular Formula | C6H7NO3 |
|---|---|
| Molecular Weight | 141.04 g/mol |
| LogP | 0.21328 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.04259 |
| Heavy Atoms | 10 |
| Complexity | 189.65984 |
Chemical Identifiers
| CAS Number | 55883-89-1 |
|---|---|
| SMILES | CO/C=C(\C#N)/C(=O)OC |
Product Overview
Methyl 2-cyano-3-methoxyacrylate (CAS 55883-89-1), with molecular formula C6H7NO3 and molecular weight 141.04 g/mol. IUPAC: methyl (E)-2-cyano-3-methoxyprop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-methoxyacrylate
Property Insights of Methyl 2-cyano-3-methoxyacrylate
The XLogP value of 0.21328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-methoxyacrylate. With a topological polar surface area (TPSA) of 59.32 Ų, Methyl 2-cyano-3-methoxyacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-3-methoxyacrylate 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-methoxyacrylate?
The CAS number of Methyl 2-cyano-3-methoxyacrylate is 55883-89-1.
What is the molecular formula of Methyl 2-cyano-3-methoxyacrylate?
The molecular formula of Methyl 2-cyano-3-methoxyacrylate is C6H7NO3.
What is the molecular weight of Methyl 2-cyano-3-methoxyacrylate?
The molecular weight of Methyl 2-cyano-3-methoxyacrylate is 141.04 g/mol.
Where can I buy Methyl 2-cyano-3-methoxyacrylate?
You can request a quote for Methyl 2-cyano-3-methoxyacrylate 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-methoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-methoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.