![3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid structure](/static/products/882/882224-34-2.png)
3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid
TL;DR: 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid (CAS 882224-34-2) is a chemical compound with molecular formula C16H13BrN4O3 and molecular weight 388.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-bromophenyl)pyrazol-1-yl]propanoic acid
Also Known As: 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid, 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyano-ethenyl)pyrazol-1-yl]propanoic Acid, 3-[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-bromophenyl)pyrazol-1-yl]propanoic acid
| Molecular Formula | C16H13BrN4O3 |
|---|---|
| Molecular Weight | 388.02 g/mol |
| LogP | 2.17958 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0171 |
| Heavy Atoms | 24 |
| Complexity | 847.19775 |
Chemical Identifiers
| CAS Number | 882224-34-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)N)CCC(=O)O)Br |
Product Overview
3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid (CAS 882224-34-2), with molecular formula C16H13BrN4O3 and molecular weight 388.02 g/mol. IUPAC: 3-[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(4-bromophenyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid
Property Insights of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid
The XLogP value of 2.17958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid has 2 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 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid?
The CAS number of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid is 882224-34-2.
What is the molecular formula of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid?
The molecular formula of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid is C16H13BrN4O3.
What is the molecular weight of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid?
The molecular weight of 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid is 388.02 g/mol.
Where can I buy 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid?
You can request a quote for 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-bromophenyl)-4-(2-carbamoyl-2-cyanoeth-1-en-1-yl)-1H-pyrazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.