4H-447S
TL;DR: 4H-447S (CAS 338421-77-5) is a chemical compound with molecular formula C21H25FN4O2S2 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide
Also Known As: 4H-447S, N-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzenesulfonamide, N-[(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzene-1-sulfonamide, N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide
| Molecular Formula | C21H25FN4O2S2 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 4.0225 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1403 |
| Heavy Atoms | 30 |
| Complexity | 1103.4033 |
Chemical Identifiers
| CAS Number | 338421-77-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CNS(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
4H-447S (CAS 338421-77-5), with molecular formula C21H25FN4O2S2 and molecular weight 448.14 g/mol. IUPAC: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzenesulfonamide.
Chemical Property Profile of 4H-447S
Property Insights of 4H-447S
The XLogP value of 4.0225 indicates that 4H-447S 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-447S. Following Lipinski's Rule of Five, 4H-447S 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 4H-447S?
The CAS number of 4H-447S is 338421-77-5.
What is the molecular formula of 4H-447S?
The molecular formula of 4H-447S is C21H25FN4O2S2.
What is the molecular weight of 4H-447S?
The molecular weight of 4H-447S is 448.14 g/mol.
Where can I buy 4H-447S?
You can request a quote for 4H-447S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-447S?
Yes, KEHONG BIO provides custom synthesis services for 4H-447S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.