6H-414S
TL;DR: 6H-414S (CAS 338794-32-4) is a chemical compound with molecular formula C20H21ClN4O4S2 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 6H-414S, methyl 2-{[5-(1-{[(4-chlorophenyl)sulfonyl]amino}-2-phenylethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[5-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-({5-[1-(4-chlorobenzenesulfonamido)-2-phenylethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-({5-[1-(4-chlorobenzenesulfonamido)-2-phenylethyl]-4-methyl-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C20H21ClN4O4S2 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 2.9959 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.06927 |
| Heavy Atoms | 31 |
| Complexity | 1135.7463 |
Chemical Identifiers
| CAS Number | 338794-32-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
6H-414S (CAS 338794-32-4), with molecular formula C20H21ClN4O4S2 and molecular weight 480.07 g/mol. IUPAC: methyl 2-[[5-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of 6H-414S
Property Insights of 6H-414S
The XLogP value of 2.9959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-414S. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-414S. Following Lipinski's Rule of Five, 6H-414S has 1 hydrogen bond donor(s) and 7 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-414S?
The CAS number of 6H-414S is 338794-32-4.
What is the molecular formula of 6H-414S?
The molecular formula of 6H-414S is C20H21ClN4O4S2.
What is the molecular weight of 6H-414S?
The molecular weight of 6H-414S is 480.07 g/mol.
Where can I buy 6H-414S?
You can request a quote for 6H-414S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-414S?
Yes, KEHONG BIO provides custom synthesis services for 6H-414S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.