1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
TL;DR: 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 476482-44-7) is a chemical compound with molecular formula C21H24N10O3S and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperidine-4-carboxamide
Also Known As: 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, F1342-0074, 1-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, 1-[3-methyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperidine-4-carboxamide, 1-(3-METHYL-2,6-DIOXO-7-(2-((1-PHENYL-1H-TETRAAZOL-5-YL)SULFANYL)ETHYL)-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)-4-PIPERIDINECARBOXAMIDE
| Molecular Formula | C21H24N10O3S |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | -0.107 |
| Topological Polar Surface Area | 162.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.17535 |
| Heavy Atoms | 35 |
| Complexity | 1480.7756 |
Chemical Identifiers
| CAS Number | 476482-44-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 476482-44-7), with molecular formula C21H24N10O3S and molecular weight 496.18 g/mol. IUPAC: 1-[3-methyl-2,6-dioxo-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Property Insights of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
The XLogP value of -0.107 indicates that 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.61 Ų indicates high polarity, suggesting 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-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-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 9 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-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The CAS number of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 476482-44-7.
What is the molecular formula of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular formula of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is C21H24N10O3S.
What is the molecular weight of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular weight of 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 496.18 g/mol.
Where can I buy 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
You can request a quote for 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-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-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-methyl-2,6-dioxo-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-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.