![8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione structure](/static/products/6734/673441-21-9.webp)
8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
TL;DR: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione (CAS 673441-21-9) is a chemical compound with molecular formula C24H23N9O2S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, 3-methyl-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethyl]-8-(2-1,2,3,4-tetrah ydroisoquinolyl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H23N9O2S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 1.754 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.16956 |
| Heavy Atoms | 36 |
| Complexity | 1668.7389 |
Chemical Identifiers
| CAS Number | 673441-21-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NN=NN5C6=CC=CC=C6 |
Product Overview
8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione (CAS 673441-21-9), with molecular formula C24H23N9O2S and molecular weight 501.17 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Property Insights of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
The XLogP value of 1.754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione?
The CAS number of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione is 673441-21-9.
What is the molecular formula of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione?
The molecular formula of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione is C24H23N9O2S.
What is the molecular weight of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione?
The molecular weight of 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione is 501.17 g/mol.
Where can I buy 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione?
You can request a quote for 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.