ChemDiv1_005331
TL;DR: ChemDiv1_005331 (CAS 361175-11-3) 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-[5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_005331, BIM-0005570.P001, AF-399/15285044, 4-[3-(4-bromophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[3-(4-bromophenyl)-5-(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 | 361175-11-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC=CS3 |
Product Overview
ChemDiv1_005331 (CAS 361175-11-3), with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_005331
Property Insights of ChemDiv1_005331
The XLogP value of 4.0531 indicates that ChemDiv1_005331 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 ChemDiv1_005331. Following Lipinski's Rule of Five, ChemDiv1_005331 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 ChemDiv1_005331?
The CAS number of ChemDiv1_005331 is 361175-11-3.
What is the molecular formula of ChemDiv1_005331?
The molecular formula of ChemDiv1_005331 is C17H15BrN2O3S.
What is the molecular weight of ChemDiv1_005331?
The molecular weight of ChemDiv1_005331 is 406.00 g/mol.
Where can I buy ChemDiv1_005331?
You can request a quote for ChemDiv1_005331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005331?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.