8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione
TL;DR: 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione (CAS 294854-23-2) is a chemical compound with molecular formula C20H15N5O2S2 and molecular weight 421.07 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-benzyl-3-methylpurine-2,6-dione
Also Known As: BAS 00383899, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-7-benzyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methyl-3,7-dihydro-purine-2,6-dione, 8-benzothiazol-2-ylthio-3-methyl-7-benzyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C20H15N5O2S2 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.0667 |
| Heavy Atoms | 29 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 294854-23-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5 |
| InChIKey | TVJWGHMWILCOGV-UHFFFAOYSA-N |
Product Overview
8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione (CAS 294854-23-2), with molecular formula C20H15N5O2S2 and molecular weight 421.07 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione
Property Insights of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione
The XLogP value of 4.2 indicates that 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-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-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione?
The CAS number of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione is 294854-23-2.
What is the molecular formula of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione?
The molecular formula of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione is C20H15N5O2S2.
What is the molecular weight of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione?
The molecular weight of 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione is 421.07 g/mol.
Where can I buy 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione?
You can request a quote for 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-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-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-Benzothiazol-2-ylsulfanyl)-7-benzyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.