![4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid structure](/static/products/5995/5995-77-7.webp)
4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
TL;DR: 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid (CAS 5995-77-7) is a chemical compound with molecular formula C19H15Cl2N3O3 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-4-oxobutanoic acid
Also Known As: 4-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid, 3-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]carbamoyl]propanoic Acid, 4-{[1-(3,4-Dichlorophenyl)-3-phenyl-1H-pyrazol-5-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C19H15Cl2N3O3 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.6494 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.04904 |
| Heavy Atoms | 27 |
| Complexity | 987.1199 |
Chemical Identifiers
| CAS Number | 5995-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCC(=O)O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid (CAS 5995-77-7), with molecular formula C19H15Cl2N3O3 and molecular weight 403.05 g/mol. IUPAC: 4-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
Property Insights of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
The XLogP value of 4.6494 indicates that 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic 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-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid?
The CAS number of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid is 5995-77-7.
What is the molecular formula of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid?
The molecular formula of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid is C19H15Cl2N3O3.
What is the molecular weight of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid?
The molecular weight of 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid is 403.05 g/mol.
Where can I buy 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid?
You can request a quote for 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.