9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester
TL;DR: 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester (CAS 646509-78-6) is a chemical compound with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-naphthalen-2-ylsulfanylpurin-9-yl)acetate
Also Known As: 0.6 H2O, Ethyl 2-(6-(naphthalen-2-ylthio)-9H-purin-9-yl)acetate, 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester, ethyl 2-(6-naphthalen-2-ylsulfanylpurin-9-yl)acetate, ethyl 2-[6-(2-naphthylsulfanyl)purin-9-yl]acetate
| Molecular Formula | C19H16N4O2S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0994 |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 646509-78-6 |
|---|---|
| SMILES | CCOC(=O)CN1C=NC2=C1N=CN=C2SC3=CC4=CC=CC=C4C=C3 |
| InChIKey | YLBMRKRBUARCCI-UHFFFAOYSA-N |
Product Overview
9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester (CAS 646509-78-6), with molecular formula C19H16N4O2S and molecular weight 364.10 g/mol. IUPAC: ethyl 2-(6-naphthalen-2-ylsulfanylpurin-9-yl)acetate.
Chemical Property Profile of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester
Property Insights of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester
The XLogP value of 4.1 indicates that 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester. Following Lipinski's Rule of Five, 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester has 0 hydrogen bond donor(s) and 6 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 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester?
The CAS number of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester is 646509-78-6.
What is the molecular formula of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester?
The molecular formula of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester is C19H16N4O2S.
What is the molecular weight of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester?
The molecular weight of 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester is 364.10 g/mol.
Where can I buy 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester?
You can request a quote for 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine-9-acetic acid, 6-(2-naphthalenylthio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.