methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
TL;DR: methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 107115-19-5) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: BAS 00381064, methyl-2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate, methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, methyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylate, 2-cyano-(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid methyl ester
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.48078 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 499.71735 |
Chemical Identifiers
| CAS Number | 107115-19-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)O |
Product Overview
methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 107115-19-5), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: methyl (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Property Insights of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
The XLogP value of 1.48078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 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-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The CAS number of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 107115-19-5.
What is the molecular formula of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular formula of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is C12H11NO4.
What is the molecular weight of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular weight of methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 233.07 g/mol.
Where can I buy methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
You can request a quote for methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-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 (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.