![1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide structure](/static/products/6723/672332-53-5.webp)
1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
TL;DR: 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 672332-53-5) is a chemical compound with molecular formula C22H25N7O4S and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, F1614-0067, 1-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide, 1-{7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide, 1-[7-(3-benzoxazol-2-ylthiopropyl)-3-methyl-2,6-dioxo-1,3,7-trihydropurin-8-yl ]piperidine-4-carboxamide
| Molecular Formula | C22H25N7O4S |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 1.4486 |
| Topological Polar Surface Area | 145.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.16888 |
| Heavy Atoms | 34 |
| Complexity | 1443.1953 |
Chemical Identifiers
| CAS Number | 672332-53-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCCSC4=NC5=CC=CC=C5O4 |
Product Overview
1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide (CAS 672332-53-5), with molecular formula C22H25N7O4S and molecular weight 483.17 g/mol. IUPAC: 1-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
Property Insights of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide
The XLogP value of 1.4486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide. The TPSA of 145.04 Ų indicates high polarity, suggesting 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-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-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide has 2 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-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The CAS number of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 672332-53-5.
What is the molecular formula of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular formula of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is C22H25N7O4S.
What is the molecular weight of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
The molecular weight of 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide is 483.17 g/mol.
Where can I buy 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide?
You can request a quote for 1-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-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-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-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-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-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.