![8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/879/879462-22-3.png)
8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 879462-22-3) is a chemical compound with molecular formula C20H13Cl2N5O2S2 and molecular weight 488.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2,6-dichlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2,6-dichlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-benzothiazol-2-ylsulfanyl-7-[(2,6-dichlorophenyl)methyl]-3-methyl-purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2,6-dichlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C20H13Cl2N5O2S2 |
|---|---|
| Molecular Weight | 488.99 g/mol |
| LogP | 4.5393 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.98877 |
| Heavy Atoms | 31 |
| Complexity | 1531.3387 |
Chemical Identifiers
| CAS Number | 879462-22-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=C(C=CC=C5Cl)Cl |
Product Overview
8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 879462-22-3), with molecular formula C20H13Cl2N5O2S2 and molecular weight 488.99 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-[(2,6-dichlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 4.5393 indicates that 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 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 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 879462-22-3.
What is the molecular formula of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H13Cl2N5O2S2.
What is the molecular weight of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 488.99 g/mol.
Where can I buy 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzo[d]thiazol-2-ylthio)-7-(2,6-dichlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.