4H-505S
TL;DR: 4H-505S (CAS 338422-25-6) is a chemical compound with molecular formula C20H18ClF3N4O2S2 and molecular weight 502.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[4-prop-2-enyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 4H-505S, N-[(4-allyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzenesulfonamide, 4-chloro-N-[[4-prop-2-enyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide, 4-chloro-N-{[4-(prop-2-en-1-yl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzene-1-sulfonamide
| Molecular Formula | C20H18ClF3N4O2S2 |
|---|---|
| Molecular Weight | 502.05 g/mol |
| LogP | 4.9071 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.05118 |
| Heavy Atoms | 32 |
| Complexity | 1179.0491 |
Chemical Identifiers
| CAS Number | 338422-25-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(F)(F)F)CNS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4H-505S (CAS 338422-25-6), with molecular formula C20H18ClF3N4O2S2 and molecular weight 502.05 g/mol. IUPAC: 4-chloro-N-[[4-prop-2-enyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 4H-505S
Property Insights of 4H-505S
The XLogP value of 4.9071 indicates that 4H-505S 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 4H-505S. Following Lipinski's Rule of Five, 4H-505S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-505S?
The CAS number of 4H-505S is 338422-25-6.
What is the molecular formula of 4H-505S?
The molecular formula of 4H-505S is C20H18ClF3N4O2S2.
What is the molecular weight of 4H-505S?
The molecular weight of 4H-505S is 502.05 g/mol.
Where can I buy 4H-505S?
You can request a quote for 4H-505S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-505S?
Yes, KEHONG BIO provides custom synthesis services for 4H-505S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.