![7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6723/672338-40-8.webp)
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 672338-40-8) is a chemical compound with molecular formula C20H22N6O2S2 and molecular weight 442.12 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)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-benzothiazol-2-ylsulfanylpropyl)-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C20H22N6O2S2 |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 2.8156 |
| Topological Polar Surface Area | 88.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.12457 |
| Heavy Atoms | 30 |
| Complexity | 1295.8105 |
Chemical Identifiers
| CAS Number | 672338-40-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCCSC4=NC5=CC=CC=C5S4 |
Product Overview
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 672338-40-8), with molecular formula C20H22N6O2S2 and molecular weight 442.12 g/mol. IUPAC: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.8156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 88.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-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)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 672338-40-8.
What is the molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C20H22N6O2S2.
What is the molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 442.12 g/mol.
Where can I buy 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-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-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.