![ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate structure](/static/products/3321/332149-77-6.webp)
ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
TL;DR: ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate (CAS 332149-77-6) is a chemical compound with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate
Also Known As: ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate, ethyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate, ethyl 2-({7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate, ethyl 2-((7-(2-hydroxy-3-(naphthalen-1-yloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)butanoate
| Molecular Formula | C25H28N4O6S |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 2.4502 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.173 |
| Heavy Atoms | 36 |
| Complexity | 1502.9866 |
Chemical Identifiers
| CAS Number | 332149-77-6 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C |
Product Overview
ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate (CAS 332149-77-6), with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol. IUPAC: ethyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylbutanoate.
Chemical Property Profile of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
Property Insights of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate
The XLogP value of 2.4502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate. Following Lipinski's Rule of Five, ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate?
The CAS number of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate is 332149-77-6.
What is the molecular formula of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate?
The molecular formula of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate is C25H28N4O6S.
What is the molecular weight of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate?
The molecular weight of ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate is 512.17 g/mol.
Where can I buy ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate?
You can request a quote for ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({7-[2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.