1-ethyl-7H-purin-6-one
TL;DR: 1-ethyl-7H-purin-6-one (CAS 51559-59-2) is a chemical compound with molecular formula C7H8N4O and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-7H-purin-6-one
Also Known As: 1-ethyl-7H-purin-6-one, 1-Ethyl-1H-purin-6(9H)-one, 1-ethyl-1,7-dihydro-6h-purin-6-one, 1-ethyl-6,9-dihydro-1H-purin-6-one, 1-ethyl-1H-purin-6(7H)-one
| Molecular Formula | C7H8N4O |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.06981 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 51559-59-2 |
|---|---|
| SMILES | CCN1C=NC2=C(C1=O)NC=N2 |
| InChIKey | WGFUXYVCRPUUHZ-UHFFFAOYSA-N |
Product Overview
1-ethyl-7H-purin-6-one (CAS 51559-59-2), with molecular formula C7H8N4O and molecular weight 164.07 g/mol. IUPAC: 1-ethyl-7H-purin-6-one.
Chemical Property Profile of 1-ethyl-7H-purin-6-one
Property Insights of 1-ethyl-7H-purin-6-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-7H-purin-6-one. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-7H-purin-6-one. Following Lipinski's Rule of Five, 1-ethyl-7H-purin-6-one has 1 hydrogen bond donor(s) and 3 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-ethyl-7H-purin-6-one?
The CAS number of 1-ethyl-7H-purin-6-one is 51559-59-2.
What is the molecular formula of 1-ethyl-7H-purin-6-one?
The molecular formula of 1-ethyl-7H-purin-6-one is C7H8N4O.
What is the molecular weight of 1-ethyl-7H-purin-6-one?
The molecular weight of 1-ethyl-7H-purin-6-one is 164.07 g/mol.
Where can I buy 1-ethyl-7H-purin-6-one?
You can request a quote for 1-ethyl-7H-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-7H-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-7H-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.