![Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate structure](/static/products/1808/1808561-23-0.webp)
Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate
TL;DR: Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate (CAS 1808561-23-0) is a chemical compound with molecular formula C21H15N3O3 and molecular weight 357.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]benzoate
Also Known As: AB00722711-01, methyl 4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]benzoate, methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate
Technical Specifications
| Molecular Formula | C21H15N3O3 |
| Molecular Weight | 357.11133 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.11133 Da |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3 |
| InChIKey | IOUZOOKBSXDOAC-FOWTUZBSSA-N |
Chemical Property Profile of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate
Property Insights of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate
The XLogP value of 3.8 indicates that Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate has 1 hydrogen bond donor(s) and 5 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 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate?
The CAS number of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate is 1808561-23-0.
What is the molecular formula of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate?
The molecular formula of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate is C21H15N3O3.
What is the molecular weight of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate?
The molecular weight of Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate is 357.11133 g/mol.
Where can I buy Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate?
You can request a quote for Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-{2-cyano-2-[(quinolin-5-yl)carbamoyl]eth-1-en-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.