7H-435S
TL;DR: 7H-435S (CAS 344269-52-9) is a chemical compound with molecular formula C23H19ClN4O2S2 and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 7H-435S, 3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 4-chlorobenzyl {5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl sulfide, 3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C23H19ClN4O2S2 |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 6.5546 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.06378 |
| Heavy Atoms | 32 |
| Complexity | 1183.1141 |
Chemical Identifiers
| CAS Number | 344269-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CSCC4=CC=C(C=C4)Cl |
Product Overview
7H-435S (CAS 344269-52-9), with molecular formula C23H19ClN4O2S2 and molecular weight 482.06 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 7H-435S
Property Insights of 7H-435S
The XLogP value of 6.5546 indicates that 7H-435S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-435S. Following Lipinski's Rule of Five, 7H-435S has 0 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-435S?
The CAS number of 7H-435S is 344269-52-9.
What is the molecular formula of 7H-435S?
The molecular formula of 7H-435S is C23H19ClN4O2S2.
What is the molecular weight of 7H-435S?
The molecular weight of 7H-435S is 482.06 g/mol.
Where can I buy 7H-435S?
You can request a quote for 7H-435S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-435S?
Yes, KEHONG BIO provides custom synthesis services for 7H-435S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.