8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
TL;DR: 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione (CAS 716330-85-7) is a chemical compound with molecular formula C18H19N5O2S2 and molecular weight 401.10 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-pentylpurine-2,6-dione
Also Known As: 8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione, AB00401793-04, 8-(benzo[d]thiazol-2-ylthio)-3-methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione, F1614-0319
| Molecular Formula | C18H19N5O2S2 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.09802 |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 716330-85-7 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C |
| InChIKey | IRSCSUYQQBSTMS-UHFFFAOYSA-N |
Product Overview
8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione (CAS 716330-85-7), with molecular formula C18H19N5O2S2 and molecular weight 401.10 g/mol. IUPAC: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
Property Insights of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
The XLogP value of 4.3 indicates that 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-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-ylthio)-3-methyl-7-pentylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-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-ylthio)-3-methyl-7-pentylpurine-2,6-dione?
The CAS number of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione is 716330-85-7.
What is the molecular formula of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione?
The molecular formula of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione is C18H19N5O2S2.
What is the molecular weight of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione?
The molecular weight of 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione is 401.10 g/mol.
Where can I buy 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione?
You can request a quote for 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-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-ylthio)-3-methyl-7-pentylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.