2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
TL;DR: 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide (CAS 303970-53-8) is a chemical compound with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, F0381-4714, 2-({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide, 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide
| Molecular Formula | C21H21N5O5S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 0.5938 |
| Topological Polar Surface Area | 145.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.12634 |
| Heavy Atoms | 32 |
| Complexity | 1418.6313 |
Chemical Identifiers
| CAS Number | 303970-53-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)N)CC(COC3=CC=CC4=CC=CC=C43)O |
Product Overview
2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide (CAS 303970-53-8), with molecular formula C21H21N5O5S and molecular weight 455.13 g/mol. IUPAC: 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
Property Insights of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
The XLogP value of 0.5938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide. The TPSA of 145.23 Ų indicates high polarity, suggesting 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide has 3 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 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The CAS number of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is 303970-53-8.
What is the molecular formula of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The molecular formula of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is C21H21N5O5S.
What is the molecular weight of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The molecular weight of 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is 455.13 g/mol.
Where can I buy 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
You can request a quote for 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.