![1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one structure](/static/products/5599/5599-12-2.webp)
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
TL;DR: 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one (CAS 5599-12-2) is a chemical compound with molecular formula C8H9N5OS and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
Also Known As: 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one, 2-Propanone, 1-[(2-amino-9H-purin-6-yl)thio]-
| Molecular Formula | C8H9N5OS |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 0.6162 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.05278 |
| Heavy Atoms | 15 |
| Complexity | 508.7014 |
Chemical Identifiers
| CAS Number | 5599-12-2 |
|---|---|
| SMILES | CC(=O)CSC1=NC(=NC2=C1NC=N2)N |
Product Overview
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one (CAS 5599-12-2), with molecular formula C8H9N5OS and molecular weight 223.05 g/mol. IUPAC: 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
Property Insights of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
The XLogP value of 0.6162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one. Following Lipinski's Rule of Five, 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one has 2 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 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one?
The CAS number of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one is 5599-12-2.
What is the molecular formula of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one?
The molecular formula of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one is C8H9N5OS.
What is the molecular weight of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one?
The molecular weight of 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one is 223.05 g/mol.
Where can I buy 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one?
You can request a quote for 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.