A3602/0152612
TL;DR: A3602/0152612 (CAS 696617-89-7) is a chemical compound with molecular formula C18H16ClN7S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-5-phenyltetrazole
Also Known As: A3602/0152612, 2-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-5-phenyltetrazole, 2-((5-((2-chlorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-5-phenyl-2H-tetrazole, 2-({5-[(2-CHLOROBENZYL)SULFANYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL}METHYL)-5-PHENYL-2H-1,2,3,4-TETRAAZOLE, 2-({5-[(2-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-5-phenyl-2H-tetrazole
| Molecular Formula | C18H16ClN7S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.4626 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.08765 |
| Heavy Atoms | 27 |
| Complexity | 1044.817 |
Chemical Identifiers
| CAS Number | 696617-89-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2Cl)CN3N=C(N=N3)C4=CC=CC=C4 |
Product Overview
A3602/0152612 (CAS 696617-89-7), with molecular formula C18H16ClN7S and molecular weight 397.09 g/mol. IUPAC: 2-[[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-5-phenyltetrazole.
Chemical Property Profile of A3602/0152612
Property Insights of A3602/0152612
The XLogP value of 3.4626 indicates that A3602/0152612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for A3602/0152612. Following Lipinski's Rule of Five, A3602/0152612 has 0 hydrogen bond donor(s) and 6 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 A3602/0152612?
The CAS number of A3602/0152612 is 696617-89-7.
What is the molecular formula of A3602/0152612?
The molecular formula of A3602/0152612 is C18H16ClN7S.
What is the molecular weight of A3602/0152612?
The molecular weight of A3602/0152612 is 397.09 g/mol.
Where can I buy A3602/0152612?
You can request a quote for A3602/0152612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3602/0152612?
Yes, KEHONG BIO provides custom synthesis services for A3602/0152612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.