1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
TL;DR: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone (CAS 5454-50-2) is a chemical compound with molecular formula C13H10N4OS and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
Also Known As: 6-phenacylthiopurine, NCIStruc1_000368, NCIStruc2_000415, 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone, 1-phenyl-2-purin-6-ylthioethan-1-one
| Molecular Formula | C13H10N4OS |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.05753 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 5454-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3 |
| InChIKey | CMZUNZSPFKIPCD-UHFFFAOYSA-N |
Product Overview
1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone (CAS 5454-50-2), with molecular formula C13H10N4OS and molecular weight 270.06 g/mol. IUPAC: 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone.
Chemical Property Profile of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
Property Insights of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-phenyl-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-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone?
The CAS number of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone is 5454-50-2.
What is the molecular formula of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone?
The molecular formula of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone is C13H10N4OS.
What is the molecular weight of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone?
The molecular weight of 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone is 270.06 g/mol.
Where can I buy 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone?
You can request a quote for 1-phenyl-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-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.