5H-406S
TL;DR: 5H-406S (CAS 338953-94-9) is a chemical compound with molecular formula C19H19F3N4O2S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 5H-406S, 4-methyl-N-[(4-methyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide, 4-methyl-N-[[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide, 4-methyl-N-{[4-methyl-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C19H19F3N4O2S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.91312 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.09015 |
| Heavy Atoms | 30 |
| Complexity | 1110.1764 |
Chemical Identifiers
| CAS Number | 338953-94-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(F)(F)F |
Product Overview
5H-406S (CAS 338953-94-9), with molecular formula C19H19F3N4O2S2 and molecular weight 456.09 g/mol. IUPAC: 4-methyl-N-[[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 5H-406S
Property Insights of 5H-406S
The XLogP value of 3.91312 indicates that 5H-406S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-406S. Following Lipinski's Rule of Five, 5H-406S has 1 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 5H-406S?
The CAS number of 5H-406S is 338953-94-9.
What is the molecular formula of 5H-406S?
The molecular formula of 5H-406S is C19H19F3N4O2S2.
What is the molecular weight of 5H-406S?
The molecular weight of 5H-406S is 456.09 g/mol.
Where can I buy 5H-406S?
You can request a quote for 5H-406S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-406S?
Yes, KEHONG BIO provides custom synthesis services for 5H-406S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.