6H-436S
TL;DR: 6H-436S (CAS 338794-45-9) is a chemical compound with molecular formula C20H21BrN4O3S2 and molecular weight 508.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
Also Known As: 6H-436S, 4-bromo-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide, N-({4-allyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-bromobenzenesulfonamide, 4-bromo-N-({5-[(2-phenoxyethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzene-1-sulfonamide
| Molecular Formula | C20H21BrN4O3S2 |
|---|---|
| Molecular Weight | 508.02 g/mol |
| LogP | 3.8762 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 508.02386 |
| Heavy Atoms | 30 |
| Complexity | 1071.1908 |
Chemical Identifiers
| CAS Number | 338794-45-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
6H-436S (CAS 338794-45-9), with molecular formula C20H21BrN4O3S2 and molecular weight 508.02 g/mol. IUPAC: 4-bromo-N-[[5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
Chemical Property Profile of 6H-436S
Property Insights of 6H-436S
The XLogP value of 3.8762 indicates that 6H-436S 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 6H-436S. Following Lipinski's Rule of Five, 6H-436S has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-436S?
The CAS number of 6H-436S is 338794-45-9.
What is the molecular formula of 6H-436S?
The molecular formula of 6H-436S is C20H21BrN4O3S2.
What is the molecular weight of 6H-436S?
The molecular weight of 6H-436S is 508.02 g/mol.
Where can I buy 6H-436S?
You can request a quote for 6H-436S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-436S?
Yes, KEHONG BIO provides custom synthesis services for 6H-436S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.