2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester (CAS 1010457-93-8) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-(2-methylphenyl)prop-2-enoate
Also Known As: methyl (E)-2-cyano-3-(2-methylphenyl)prop-2-enoate, 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester, METHYL (2E)-2-CYANO-3-(2-METHYLPHENYL)PROP-2-ENOATE, Methyl 2-cyano-3-(2-methylphenyl)-2-propenoate, J1.811.183G
Technical Specifications
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
| SMILES | CC1=CC=CC=C1/C=C(\C#N)/C(=O)OC |
| InChIKey | UAHBSTHMSSDNRL-YRNVUSSQSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester is 1010457-93-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester is C12H11NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester is 201.07898 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(2-methylphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.