4H-506S
TL;DR: 4H-506S (CAS 338422-27-8) is a chemical compound with molecular formula C20H21ClN4O3S2 and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 4H-506S, N-({4-allyl-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzenesulfonamide, 4-chloro-N-[(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)methyl]benzene-1-sulfonamide, 4-chloro-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
| Molecular Formula | C20H21ClN4O3S2 |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 3.8969 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.07437 |
| Heavy Atoms | 30 |
| Complexity | 1115.3352 |
Chemical Identifiers
| CAS Number | 338422-27-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)CNS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4H-506S (CAS 338422-27-8), with molecular formula C20H21ClN4O3S2 and molecular weight 464.07 g/mol. IUPAC: 4-chloro-N-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 4H-506S
Property Insights of 4H-506S
The XLogP value of 3.8969 indicates that 4H-506S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-506S. Following Lipinski's Rule of Five, 4H-506S has 1 hydrogen bond donor(s) and 6 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-506S?
The CAS number of 4H-506S is 338422-27-8.
What is the molecular formula of 4H-506S?
The molecular formula of 4H-506S is C20H21ClN4O3S2.
What is the molecular weight of 4H-506S?
The molecular weight of 4H-506S is 464.07 g/mol.
Where can I buy 4H-506S?
You can request a quote for 4H-506S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-506S?
Yes, KEHONG BIO provides custom synthesis services for 4H-506S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.