![ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate structure](/static/products/7499/749908-20-1.webp)
ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 749908-20-1) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, Ethyl 4-[3-[2-cyano-2-(propan-2-ylcarbamoyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate, ethyl 4-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 3.70242 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 944.64197 |
Chemical Identifiers
| CAS Number | 749908-20-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NC(C)C)C |
Product Overview
ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 749908-20-1), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: ethyl 4-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 3.70242 indicates that ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate has 1 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 ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 749908-20-1.
What is the molecular formula of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C22H25N3O3.
What is the molecular weight of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 379.19 g/mol.
Where can I buy ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-{2-cyano-2-[(propan-2-yl)carbamoyl]eth-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.