ChemDiv1_005254
TL;DR: ChemDiv1_005254 (CAS 126571-67-3) is a chemical compound with molecular formula C22H19ClN2O3S and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
Also Known As: ChemDiv1_005254, 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole, F0742-0125, 3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole, 2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
| Molecular Formula | C22H19ClN2O3S |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 4.8886 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.0805 |
| Heavy Atoms | 29 |
| Complexity | 1128.9396 |
Chemical Identifiers
| CAS Number | 126571-67-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_005254 (CAS 126571-67-3), with molecular formula C22H19ClN2O3S and molecular weight 426.08 g/mol. IUPAC: 2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole.
Chemical Property Profile of ChemDiv1_005254
Property Insights of ChemDiv1_005254
The XLogP value of 4.8886 indicates that ChemDiv1_005254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, ChemDiv1_005254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005254 has 0 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_005254?
The CAS number of ChemDiv1_005254 is 126571-67-3.
What is the molecular formula of ChemDiv1_005254?
The molecular formula of ChemDiv1_005254 is C22H19ClN2O3S.
What is the molecular weight of ChemDiv1_005254?
The molecular weight of ChemDiv1_005254 is 426.08 g/mol.
Where can I buy ChemDiv1_005254?
You can request a quote for ChemDiv1_005254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005254?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.