2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester
TL;DR: 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester (CAS 144478-31-9) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-chlorophenyl)-2-cyanoprop-2-enoate
Also Known As: methyl 3-(4-chlorophenyl)-2-cyanoprop-2-enoate, 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester, methyl 3-(4-chlorophenyl)-2-cyanoacrylate, methyl 2-cyano-3-(4-chlorophenyl)propenoate, methyl (Z)-3-(4-chlorophenyl)-2-cyano-2-propenoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.02435 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.02435 Da |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)Cl)C#N |
| InChIKey | PZMKZVIGENYNFE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester
Property Insights of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, 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, 3-(4-chlorophenyl)-2-cyano-, methyl ester?
The CAS number of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester is 144478-31-9.
What is the molecular formula of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester is C11H8ClNO2.
What is the molecular weight of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester is 221.02435 g/mol.
Where can I buy 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 3-(4-chlorophenyl)-2-cyano-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.