6H-415S
TL;DR: 6H-415S (CAS 338794-33-5) is a chemical compound with molecular formula C20H21ClN4O2S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
Also Known As: 6H-415S, N-{1-[5-(allylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-4-chlorobenzenesulfonamide, 4-chloro-N-[1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide, 4-chloro-N-{1-[4-methyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}benzene-1-sulfonamide
| Molecular Formula | C20H21ClN4O2S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.0089 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.07944 |
| Heavy Atoms | 29 |
| Complexity | 1067.6205 |
Chemical Identifiers
| CAS Number | 338794-33-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC=C)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
6H-415S (CAS 338794-33-5), with molecular formula C20H21ClN4O2S2 and molecular weight 448.08 g/mol. IUPAC: 4-chloro-N-[1-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide.
Chemical Property Profile of 6H-415S
Property Insights of 6H-415S
The XLogP value of 4.0089 indicates that 6H-415S 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 6H-415S. Following Lipinski's Rule of Five, 6H-415S 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 6H-415S?
The CAS number of 6H-415S is 338794-33-5.
What is the molecular formula of 6H-415S?
The molecular formula of 6H-415S is C20H21ClN4O2S2.
What is the molecular weight of 6H-415S?
The molecular weight of 6H-415S is 448.08 g/mol.
Where can I buy 6H-415S?
You can request a quote for 6H-415S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-415S?
Yes, KEHONG BIO provides custom synthesis services for 6H-415S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.