4H-502S
TL;DR: 4H-502S (CAS 338422-20-1) is a chemical compound with molecular formula C23H27ClN4O2S2 and molecular weight 490.13 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-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide
Also Known As: 4H-502S, N-[(4-allyl-5-{[4-(tert-butyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzenesulfonamide, N-[(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzene-1-sulfonamide, N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide
| Molecular Formula | C23H27ClN4O2S2 |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 5.1858 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.1264 |
| Heavy Atoms | 32 |
| Complexity | 1166.2006 |
Chemical Identifiers
| CAS Number | 338422-20-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4H-502S (CAS 338422-20-1), with molecular formula C23H27ClN4O2S2 and molecular weight 490.13 g/mol. IUPAC: N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzenesulfonamide.
Chemical Property Profile of 4H-502S
Property Insights of 4H-502S
The XLogP value of 5.1858 indicates that 4H-502S 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-502S. Following Lipinski's Rule of Five, 4H-502S 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-502S?
The CAS number of 4H-502S is 338422-20-1.
What is the molecular formula of 4H-502S?
The molecular formula of 4H-502S is C23H27ClN4O2S2.
What is the molecular weight of 4H-502S?
The molecular weight of 4H-502S is 490.13 g/mol.
Where can I buy 4H-502S?
You can request a quote for 4H-502S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-502S?
Yes, KEHONG BIO provides custom synthesis services for 4H-502S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.