5H-446S
TL;DR: 5H-446S (CAS 338954-13-5) is a chemical compound with molecular formula C21H23FN4O2S2 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide
Also Known As: 5H-446S, N-{1-[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide, N-[1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide, N-{1-[4-ethyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzene-1-sulfonamide, N-{1-[4-ethyl-5-(prop-2-en-1-ylsulfanyl)-1,2,4-triazol-3-yl]-2-phenylethyl}-4-fluorobenzenesulfonamide
| Molecular Formula | C21H23FN4O2S2 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 3.9775 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.12463 |
| Heavy Atoms | 30 |
| Complexity | 1083.954 |
Chemical Identifiers
| CAS Number | 338954-13-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC=C)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
5H-446S (CAS 338954-13-5), with molecular formula C21H23FN4O2S2 and molecular weight 446.12 g/mol. IUPAC: N-[1-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide.
Chemical Property Profile of 5H-446S
Property Insights of 5H-446S
The XLogP value of 3.9775 indicates that 5H-446S 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-446S. Following Lipinski's Rule of Five, 5H-446S 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-446S?
The CAS number of 5H-446S is 338954-13-5.
What is the molecular formula of 5H-446S?
The molecular formula of 5H-446S is C21H23FN4O2S2.
What is the molecular weight of 5H-446S?
The molecular weight of 5H-446S is 446.12 g/mol.
Where can I buy 5H-446S?
You can request a quote for 5H-446S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-446S?
Yes, KEHONG BIO provides custom synthesis services for 5H-446S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.