ChemDiv1_007872
TL;DR: ChemDiv1_007872 (CAS 402947-93-7) is a chemical compound with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
Also Known As: ChemDiv1_007872, 5-(2,3-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazole, F0877-0056, 5-(2,3-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-1-tosyl-4,5-dihydro-1H-pyrazole, 3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
| Molecular Formula | C26H28N2O6S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.56942 |
| Topological Polar Surface Area | 86.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1668 |
| Heavy Atoms | 35 |
| Complexity | 1352.755 |
Chemical Identifiers
| CAS Number | 402947-93-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC(=C(C=C3)OC)OC)C4=C(C(=CC=C4)OC)OC |
Product Overview
ChemDiv1_007872 (CAS 402947-93-7), with molecular formula C26H28N2O6S and molecular weight 496.17 g/mol. IUPAC: 3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole.
Chemical Property Profile of ChemDiv1_007872
Property Insights of ChemDiv1_007872
The XLogP value of 4.56942 indicates that ChemDiv1_007872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007872. Following Lipinski's Rule of Five, ChemDiv1_007872 has 0 hydrogen bond donor(s) and 7 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_007872?
The CAS number of ChemDiv1_007872 is 402947-93-7.
What is the molecular formula of ChemDiv1_007872?
The molecular formula of ChemDiv1_007872 is C26H28N2O6S.
What is the molecular weight of ChemDiv1_007872?
The molecular weight of ChemDiv1_007872 is 496.17 g/mol.
Where can I buy ChemDiv1_007872?
You can request a quote for ChemDiv1_007872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007872?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.