7H-519S
TL;DR: 7H-519S (CAS 344274-07-3) is a chemical compound with molecular formula C21H21ClN6S3 and molecular weight 488.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 7H-519S, 5-{[(5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione, 5-({[5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C21H21ClN6S3 |
|---|---|
| Molecular Weight | 488.07 g/mol |
| LogP | 5.92039 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.06784 |
| Heavy Atoms | 31 |
| Complexity | 1184.0579 |
Chemical Identifiers
| CAS Number | 344274-07-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=NNC(=S)N2C3=CC=CC=C3)CSCC4=CC=C(C=C4)Cl |
Product Overview
7H-519S (CAS 344274-07-3), with molecular formula C21H21ClN6S3 and molecular weight 488.07 g/mol. IUPAC: 3-[[5-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 7H-519S
Property Insights of 7H-519S
The XLogP value of 5.92039 indicates that 7H-519S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-519S. Following Lipinski's Rule of Five, 7H-519S 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 7H-519S?
The CAS number of 7H-519S is 344274-07-3.
What is the molecular formula of 7H-519S?
The molecular formula of 7H-519S is C21H21ClN6S3.
What is the molecular weight of 7H-519S?
The molecular weight of 7H-519S is 488.07 g/mol.
Where can I buy 7H-519S?
You can request a quote for 7H-519S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-519S?
Yes, KEHONG BIO provides custom synthesis services for 7H-519S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.