![5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid structure](/static/products/359/359798-80-4.png)
5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
TL;DR: 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid (CAS 359798-80-4) is a chemical compound with molecular formula C23H17BrClN3O3 and molecular weight 497.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid
Also Known As: 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid, (E)-5-(3-(3-((3-bromophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid, 5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid, 5-{3-[(E)-3-(3-BROMOANILINO)-2-CYANO-3-OXO-1-PROPENYL]-2,5-DIMETHYL-1H-PYRROL-1-YL}-2-CHLOROBENZOIC ACID
| Molecular Formula | C23H17BrClN3O3 |
|---|---|
| Molecular Weight | 497.01 g/mol |
| LogP | 5.75392 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0142 |
| Heavy Atoms | 31 |
| Complexity | 1271.5565 |
Chemical Identifiers
| CAS Number | 359798-80-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Br |
Product Overview
5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid (CAS 359798-80-4), with molecular formula C23H17BrClN3O3 and molecular weight 497.01 g/mol. IUPAC: 5-[3-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid.
Chemical Property Profile of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
Property Insights of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid
The XLogP value of 5.75392 indicates that 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic 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 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid?
The CAS number of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid is 359798-80-4.
What is the molecular formula of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid?
The molecular formula of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid is C23H17BrClN3O3.
What is the molecular weight of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid?
The molecular weight of 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid is 497.01 g/mol.
Where can I buy 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid?
You can request a quote for 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.