methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate
TL;DR: methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate (CAS 107115-22-0) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Also Known As: methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate, methyl (E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate, methyl 3,4,5-trimethoxybenzylidenecyanoacetate, methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate, Methyl (E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 1.79238 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 546.41235 |
Chemical Identifiers
| CAS Number | 107115-22-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)OC |
Product Overview
methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate (CAS 107115-22-0), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: methyl (E)-2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate
Property Insights of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate
The XLogP value of 1.79238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate has 0 hydrogen bond donor(s) and 6 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 (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate?
The CAS number of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate is 107115-22-0.
What is the molecular formula of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate?
The molecular formula of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate is C14H15NO5.
What is the molecular weight of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate?
The molecular weight of methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate is 277.10 g/mol.
Where can I buy methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate?
You can request a quote for methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.