A3697/0156863
TL;DR: A3697/0156863 (CAS 704876-47-1) is a chemical compound with molecular formula C23H28N12 and molecular weight 472.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-phenylethyl)-4-[[6-(2-phenylethyl)-5,7-dihydrotetrazolo[1,5-a][1,3,5]triazin-4-yl]methyl]-5,7-dihydrotetrazolo[1,5-a][1,3,5]triazine
Also Known As: A3697/0156863, 6-phenethyl-4-{[6-phenethyl-6,7-dihydro[1,2,3,4]tetraazolo[1,5-a][1,3,5]triazin-4(5H)-yl]methyl}-4,5,6,7-tetrahydro[1,2,3,4]tetraazolo[1,5-a][1,3,5]triazine, 4,4'-methanediylbis[6-(2-phenylethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a][1,3,5]triazine], bis(6-phenethyl-6,7-dihydrotetrazolo[1,5-a][1,3,5]triazin-4(5H)-yl)methane, 6-(2-PHENYLETHYL)-4-{[6-(2-PHENYLETHYL)-4H,5H,6H,7H-[1,2,3,4]TETRAZOLO[1,5-A][1,3,5]TRIAZIN-4-YL]METHYL}-4H,5H,6H,7H-[1,2,3,4]TETRAZOLO[1,5-A][1,3,5]TRIAZINE
| Molecular Formula | C23H28N12 |
|---|---|
| Molecular Weight | 472.26 g/mol |
| LogP | 0.8767 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.25598 |
| Heavy Atoms | 35 |
| Complexity | 1127.8096 |
Chemical Identifiers
| CAS Number | 704876-47-1 |
|---|---|
| SMILES | C1N(CN2C(=NN=N2)N1CN3CN(CN4C3=NN=N4)CCC5=CC=CC=C5)CCC6=CC=CC=C6 |
Product Overview
A3697/0156863 (CAS 704876-47-1), with molecular formula C23H28N12 and molecular weight 472.26 g/mol. IUPAC: 6-(2-phenylethyl)-4-[[6-(2-phenylethyl)-5,7-dihydrotetrazolo[1,5-a][1,3,5]triazin-4-yl]methyl]-5,7-dihydrotetrazolo[1,5-a][1,3,5]triazine.
Chemical Property Profile of A3697/0156863
Property Insights of A3697/0156863
The XLogP value of 0.8767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3697/0156863. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A3697/0156863. Following Lipinski's Rule of Five, A3697/0156863 has 0 hydrogen bond donor(s) and 10 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 A3697/0156863?
The CAS number of A3697/0156863 is 704876-47-1.
What is the molecular formula of A3697/0156863?
The molecular formula of A3697/0156863 is C23H28N12.
What is the molecular weight of A3697/0156863?
The molecular weight of A3697/0156863 is 472.26 g/mol.
Where can I buy A3697/0156863?
You can request a quote for A3697/0156863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3697/0156863?
Yes, KEHONG BIO provides custom synthesis services for A3697/0156863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.