(Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340307-05-3) is a chemical compound with molecular formula C24H21N3O3 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-(3-{2-cyano-3-[(3-methylphenyl)amino]-3-oxo-1-propen-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid, 4-[3-[2-cyano-2-[(3-methylphenyl)carbamoyl]ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic Acid, 4-(3-{(1Z)-2-cyano-2-[N-(3-methylphenyl)carbamoyl]vinyl}-2,5-dimethylpyrrolyl) benzoic acid
| Molecular Formula | C24H21N3O3 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.64644 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.1583 |
| Heavy Atoms | 30 |
| Complexity | 1195.4243 |
Chemical Identifiers
| CAS Number | 340307-05-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)/C#N |
Product Overview
(Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 340307-05-3), with molecular formula C24H21N3O3 and molecular weight 399.16 g/mol. IUPAC: 4-[3-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.64644 indicates that (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-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 (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-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 (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 340307-05-3.
What is the molecular formula of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C24H21N3O3.
What is the molecular weight of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 399.16 g/mol.
Where can I buy (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-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 (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(3-(2-cyano-3-oxo-3-(m-tolylamino)prop-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.