5H-445S
TL;DR: 5H-445S (CAS 338954-12-4) is a chemical compound with molecular formula C29H33FN4O2S2 and molecular weight 552.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide
Also Known As: 5H-445S, N-[1-(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzenesulfonamide, N-[1-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl]-4-fluorobenzene-1-sulfonamide, N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide
| Molecular Formula | C29H33FN4O2S2 |
|---|---|
| Molecular Weight | 552.20 g/mol |
| LogP | 6.2892 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 552.2029 |
| Heavy Atoms | 38 |
| Complexity | 1447.4614 |
Chemical Identifiers
| CAS Number | 338954-12-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
5H-445S (CAS 338954-12-4), with molecular formula C29H33FN4O2S2 and molecular weight 552.20 g/mol. IUPAC: N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-fluorobenzenesulfonamide.
Chemical Property Profile of 5H-445S
Property Insights of 5H-445S
The XLogP value of 6.2892 indicates that 5H-445S 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-445S. Following Lipinski's Rule of Five, 5H-445S 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 5H-445S?
The CAS number of 5H-445S is 338954-12-4.
What is the molecular formula of 5H-445S?
The molecular formula of 5H-445S is C29H33FN4O2S2.
What is the molecular weight of 5H-445S?
The molecular weight of 5H-445S is 552.20 g/mol.
Where can I buy 5H-445S?
You can request a quote for 5H-445S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-445S?
Yes, KEHONG BIO provides custom synthesis services for 5H-445S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.