ChemDiv1_007350
TL;DR: ChemDiv1_007350 (CAS 362490-71-9) is a chemical compound with molecular formula C19H16BrFN2O3 and molecular weight 418.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007350, 4-(3-(4-bromophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, AF-399/15284027, 4-[3-(4-bromophenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0450-0009
| Molecular Formula | C19H16BrFN2O3 |
|---|---|
| Molecular Weight | 418.03 g/mol |
| LogP | 4.1307 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.03284 |
| Heavy Atoms | 26 |
| Complexity | 867.3429 |
Chemical Identifiers
| CAS Number | 362490-71-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)O)C3=CC=CC=C3F |
Product Overview
ChemDiv1_007350 (CAS 362490-71-9), with molecular formula C19H16BrFN2O3 and molecular weight 418.03 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_007350
Property Insights of ChemDiv1_007350
The XLogP value of 4.1307 indicates that ChemDiv1_007350 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_007350. Following Lipinski's Rule of Five, ChemDiv1_007350 has 1 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 ChemDiv1_007350?
The CAS number of ChemDiv1_007350 is 362490-71-9.
What is the molecular formula of ChemDiv1_007350?
The molecular formula of ChemDiv1_007350 is C19H16BrFN2O3.
What is the molecular weight of ChemDiv1_007350?
The molecular weight of ChemDiv1_007350 is 418.03 g/mol.
Where can I buy ChemDiv1_007350?
You can request a quote for ChemDiv1_007350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007350?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.