Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
TL;DR: Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (CAS 150973-64-1) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: 2.4.4'-Trihydroxy-dihydrochalkon, methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, METHYL 2-CYANO-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE
Technical Specifications
| Molecular Formula | C13H13NO5 |
| Molecular Weight | 263.07938 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.07938 Da |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)C=C(C#N)C(=O)OC |
| InChIKey | RIATTXRBOBWMME-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Property Insights of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The CAS number of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is 150973-64-1.
What is the molecular formula of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The molecular formula of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is C13H13NO5.
What is the molecular weight of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
The molecular weight of Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is 263.07938 g/mol.
Where can I buy Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
You can request a quote for Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.