![4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid structure](/static/products/340/340228-71-9.png)
4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340228-71-9) is a chemical compound with molecular formula C23H18FN3O3 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-[3-[2-cyano-2-[(4-fluorophenyl)carbamoyl]ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic Acid, (Z)-4-(3-(2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
| Molecular Formula | C23H18FN3O3 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 4.47712 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1332 |
| Heavy Atoms | 30 |
| Complexity | 1184.1715 |
Chemical Identifiers
| CAS Number | 340228-71-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)F |
Product Overview
4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340228-71-9), with molecular formula C23H18FN3O3 and molecular weight 403.13 g/mol. IUPAC: 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.47712 indicates that 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 340228-71-9.
What is the molecular formula of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C23H18FN3O3.
What is the molecular weight of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 403.13 g/mol.
Where can I buy 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.