![4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid structure](/static/products/6059/6059-51-4.webp)
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
TL;DR: 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid (CAS 6059-51-4) is a chemical compound with molecular formula C17H11BrN2O3 and molecular weight 370.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
Also Known As: BIM-0048692.P001, 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid, 4-{3-[(3-bromophenyl)amino]-2-cyano-3-oxo-1-propen-1-yl}benzoic acid, 4-{(1Z)-2-[N-(3-bromophenyl)carbamoyl]-2-cyanovinyl}benzoic acid, 4-[(1Z)-3-(3-Bromoanilino)-2-cyano-3-oxoprop-1-en-1-yl]benzoic acid
| Molecular Formula | C17H11BrN2O3 |
|---|---|
| Molecular Weight | 370.00 g/mol |
| LogP | 3.69298 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.9953 |
| Heavy Atoms | 23 |
| Complexity | 820.4773 |
Chemical Identifiers
| CAS Number | 6059-51-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N |
Product Overview
4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid (CAS 6059-51-4), with molecular formula C17H11BrN2O3 and molecular weight 370.00 g/mol. IUPAC: 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
Property Insights of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid
The XLogP value of 3.69298 indicates that 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]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-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid?
The CAS number of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid is 6059-51-4.
What is the molecular formula of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid?
The molecular formula of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid is C17H11BrN2O3.
What is the molecular weight of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid?
The molecular weight of 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid is 370.00 g/mol.
Where can I buy 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid?
You can request a quote for 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]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-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.