![1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide structure](/static/products/4764/476482-20-9.webp)
1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
TL;DR: 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 476482-20-9) is a chemical compound with molecular formula C22H25N7O3S2 and molecular weight 499.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-{7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide, 1-[7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide, 1-{7-[2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)ETHYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}-4-PIPERIDINECARBOXAMIDE, 1-(7-(2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)ETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)-4-PIPERIDINECARBOXAMIDE
| Molecular Formula | C22H25N7O3S2 |
|---|---|
| Molecular Weight | 499.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.14603 |
| Heavy Atoms | 34 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 476482-20-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC5=CC=CC=C5S4 |
| InChIKey | JFHAOORXBRTLLP-UHFFFAOYSA-N |
Product Overview
1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 476482-20-9), with molecular formula C22H25N7O3S2 and molecular weight 499.15 g/mol. IUPAC: 1-[7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Property Insights of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide. The TPSA of 171.0 Ų indicates high polarity, suggesting 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 8 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 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The CAS number of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 476482-20-9.
What is the molecular formula of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular formula of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is C22H25N7O3S2.
What is the molecular weight of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular weight of 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 499.15 g/mol.
Where can I buy 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
You can request a quote for 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.