2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-
TL;DR: 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- (CAS 122520-75-6) 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.
2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Also Known As: 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid, benzylidenemalononitrile (BMN) deriv. 32, 4-Oxy-3-methoxy-benzalmalonsaeure-mononitril, 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-, (2Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.39238 |
| Topological Polar Surface Area | 90.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 485.2482 |
Chemical Identifiers
| CAS Number | 122520-75-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)O |
Product Overview
2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- (CAS 122520-75-6), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-
Property Insights of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-
The XLogP value of 1.39238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-. The TPSA of 90.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- has 2 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 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-?
The CAS number of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- is 122520-75-6.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- is C11H9NO4.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- is 219.05 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.