![7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/4764/476482-73-2.webp)
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-73-2) is a chemical compound with molecular formula C18H20N6O3S2 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione
Also Known As: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-((2-hydroxyethyl)(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 648-479-0, 7-(2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl)-8-((2-hydroxyethyl)(methyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H20N6O3S2 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 1.2538 |
| Topological Polar Surface Area | 109.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.10382 |
| Heavy Atoms | 29 |
| Complexity | 1255.4624 |
Chemical Identifiers
| CAS Number | 476482-73-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CCO)CCSC3=NC4=CC=CC=C4S3 |
Product Overview
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-73-2), with molecular formula C18H20N6O3S2 and molecular weight 432.10 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[2-hydroxyethyl(methyl)amino]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 109.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 8 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 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 476482-73-2.
What is the molecular formula of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C18H20N6O3S2.
What is the molecular weight of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 432.10 g/mol.
Where can I buy 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-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 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[(2-hydroxyethyl)(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.