8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione (CAS 331659-10-0) is a chemical compound with molecular formula C22H27N5O2S2 and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione
Also Known As: BAS 00383959, 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione, 8-benzothiazol-2-ylthio-3-methyl-7-nonyl-1,3,7-trihydropurine-2,6-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H27N5O2S2 |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.9348 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.1606 |
| Heavy Atoms | 31 |
| Complexity | 1267.9547 |
Chemical Identifiers
| CAS Number | 331659-10-0 |
|---|---|
| SMILES | CCCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C |
Product Overview
8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione (CAS 331659-10-0), with molecular formula C22H27N5O2S2 and molecular weight 457.16 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione.
Chemical Property Profile of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 4.9348 indicates that 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-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-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-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-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione is 331659-10-0.
What is the molecular formula of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione is C22H27N5O2S2.
What is the molecular weight of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione is 457.16 g/mol.
Where can I buy 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-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-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.