![4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid structure](/static/products/3614/361480-91-3.webp)
4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
TL;DR: 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (CAS 361480-91-3) is a chemical compound with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_005029, AF-399/15284085, 4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(5-(4-bromophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[5-(4-bromophenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C17H15BrN2O3S |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 4.0531 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.9987 |
| Heavy Atoms | 24 |
| Complexity | 771.6432 |
Chemical Identifiers
| CAS Number | 361480-91-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid (CAS 361480-91-3), with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol. IUPAC: 4-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Property Insights of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
The XLogP value of 4.0531 indicates that 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid has 1 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 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The CAS number of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is 361480-91-3.
What is the molecular formula of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The molecular formula of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is C17H15BrN2O3S.
What is the molecular weight of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
The molecular weight of 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid is 406.00 g/mol.
Where can I buy 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
You can request a quote for 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-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-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.