1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone
TL;DR: 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone (CAS 312281-93-9) is a chemical compound with molecular formula C17H12N4OS and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone
Also Known As: TimTec1_004334, BAS 03655999, 1-(2-naphthyl)-2-purin-6-ylthioethan-1-one, 1-(2-naphthyl)-2-(9H-purin-6-ylthio)ethanone, 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone
| Molecular Formula | C17H12N4OS |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.07318 |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 312281-93-9 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC=NC4=C3NC=N4 |
| InChIKey | VQMJJOYQKCIYGO-UHFFFAOYSA-N |
Product Overview
1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone (CAS 312281-93-9), with molecular formula C17H12N4OS and molecular weight 320.07 g/mol. IUPAC: 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone.
Chemical Property Profile of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone
Property Insights of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone
The XLogP value of 3.6 indicates that 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone has 1 hydrogen bond donor(s) and 5 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-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone?
The CAS number of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone is 312281-93-9.
What is the molecular formula of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone?
The molecular formula of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone is C17H12N4OS.
What is the molecular weight of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone?
The molecular weight of 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone is 320.07 g/mol.
Where can I buy 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone?
You can request a quote for 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-naphthalen-2-yl-2-(7H-purin-6-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.