![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)propanoate structure](/static/products/332/332149-76-5.png)
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)propanoate
TL;DR: 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)propanoate (CAS 332149-76-5) is a chemical compound with molecular formula C24H26N4O6S and molecular weight 498.16 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]sulfanylpropanoate
Also Known As: 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)propanoate, 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)propanoate, ethyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate
| Molecular Formula | C24H26N4O6S |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | 2.0601 |
| Topological Polar Surface Area | 128.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.15732 |
| Heavy Atoms | 35 |
| Complexity | 1485.9225 |
Chemical Identifiers
| CAS Number | 332149-76-5 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C |
Product Overview
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)propanoate (CAS 332149-76-5), with molecular formula C24H26N4O6S and molecular weight 498.16 g/mol. IUPAC: ethyl 2-[7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoate.
Chemical Property Profile of 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)propanoate
Property Insights of 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)propanoate
The XLogP value of 2.0601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 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)propanoate. The TPSA of 128.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 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)propanoate. Following Lipinski's Rule of Five, 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)propanoate 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 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)propanoate?
The CAS number of 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)propanoate is 332149-76-5.
What is the molecular formula of 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)propanoate?
The molecular formula of 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)propanoate is C24H26N4O6S.
What is the molecular weight of 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)propanoate?
The molecular weight of 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)propanoate is 498.16 g/mol.
Where can I buy 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)propanoate?
You can request a quote for 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)propanoate 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-(naphthalen-1-yloxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 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)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.