Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate (CAS 524934-86-9) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(2,4-dihydroxyphenyl)-, methyl ester (9CI)
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.17778 |
| Topological Polar Surface Area | 90.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 485.2482 |
Chemical Identifiers
| CAS Number | 524934-86-9 |
|---|---|
| SMILES | COC(=O)C(=CC1=C(C=C(C=C1)O)O)C#N |
Product Overview
Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate (CAS 524934-86-9), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate
The XLogP value of 1.17778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate. The TPSA of 90.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate has 2 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 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate is 524934-86-9.
What is the molecular formula of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate is C11H9NO4.
What is the molecular weight of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate is 219.05 g/mol.
Where can I buy Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(2,4-dihydroxyphenyl)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 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.