![7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione structure](/static/products/7142/714290-44-5.webp)
7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
TL;DR: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 714290-44-5) is a chemical compound with molecular formula C21H24N6O2S2 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one, 7-(3-(benzo[d]thiazol-2-ylthio)-2-methylpropyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-benzothiazol-2-ylthio-2-methylpropyl)-3-methyl-8-pyrrolidinyl-1,3,7-trihy dropurine-2,6-dione
| Molecular Formula | C21H24N6O2S2 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.14023 |
| Heavy Atoms | 31 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 714290-44-5 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC5=CC=CC=C5S4 |
| InChIKey | FAQIUCXZJMBDFK-UHFFFAOYSA-N |
Product Overview
7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione (CAS 714290-44-5), with molecular formula C21H24N6O2S2 and molecular weight 456.14 g/mol. IUPAC: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Property Insights of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
The XLogP value of 4.1 indicates that 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione has 1 hydrogen bond donor(s) and 7 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-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The CAS number of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is 714290-44-5.
What is the molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is C21H24N6O2S2.
What is the molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
The molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione is 456.14 g/mol.
Where can I buy 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
You can request a quote for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-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-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.