ChemDiv1_008764
TL;DR: ChemDiv1_008764 (CAS 402947-77-7) is a chemical compound with molecular formula C23H21FN2O4S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazole
Also Known As: ChemDiv1_008764, 3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole, F0877-0046, 1,2-Benzenedicarbonitrile,3-chloro-4,5,6-trifluoro, 2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazole
| Molecular Formula | C23H21FN2O4S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 4.3829 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1206 |
| Heavy Atoms | 31 |
| Complexity | 1229.3337 |
Chemical Identifiers
| CAS Number | 402947-77-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4)OC |
Product Overview
ChemDiv1_008764 (CAS 402947-77-7), with molecular formula C23H21FN2O4S and molecular weight 440.12 g/mol. IUPAC: 2-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazole.
Chemical Property Profile of ChemDiv1_008764
Property Insights of ChemDiv1_008764
The XLogP value of 4.3829 indicates that ChemDiv1_008764 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008764. Following Lipinski's Rule of Five, ChemDiv1_008764 has 0 hydrogen bond donor(s) and 5 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_008764?
The CAS number of ChemDiv1_008764 is 402947-77-7.
What is the molecular formula of ChemDiv1_008764?
The molecular formula of ChemDiv1_008764 is C23H21FN2O4S.
What is the molecular weight of ChemDiv1_008764?
The molecular weight of ChemDiv1_008764 is 440.12 g/mol.
Where can I buy ChemDiv1_008764?
You can request a quote for ChemDiv1_008764 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008764?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008764 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.