Ethyl 7H-purine-6-carboxylate
TL;DR: Ethyl 7H-purine-6-carboxylate (CAS 40769-66-2) is a chemical compound with molecular formula C8H8N4O2 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7H-purine-6-carboxylate
Also Known As: Ethyl 7H-purine-6-carboxylate, ETHYL 9H-PURINE-6-CARBOXYLATE, 9H-Purine-6-carboxylic acid, ethyl ester, 9H-PURINE-6-CARBOXYLIC ACID ETHYL ESTER, RefChem:344670
| Molecular Formula | C8H8N4O2 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 0.5296 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.06473 |
| Heavy Atoms | 14 |
| Complexity | 465.06415 |
Chemical Identifiers
| CAS Number | 40769-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C(=NC=N1)N=CN2 |
Product Overview
Ethyl 7H-purine-6-carboxylate (CAS 40769-66-2), with molecular formula C8H8N4O2 and molecular weight 192.06 g/mol. IUPAC: ethyl 7H-purine-6-carboxylate.
Chemical Property Profile of Ethyl 7H-purine-6-carboxylate
Property Insights of Ethyl 7H-purine-6-carboxylate
The XLogP value of 0.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7H-purine-6-carboxylate. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7H-purine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 7H-purine-6-carboxylate 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 Ethyl 7H-purine-6-carboxylate?
The CAS number of Ethyl 7H-purine-6-carboxylate is 40769-66-2.
What is the molecular formula of Ethyl 7H-purine-6-carboxylate?
The molecular formula of Ethyl 7H-purine-6-carboxylate is C8H8N4O2.
What is the molecular weight of Ethyl 7H-purine-6-carboxylate?
The molecular weight of Ethyl 7H-purine-6-carboxylate is 192.06 g/mol.
Where can I buy Ethyl 7H-purine-6-carboxylate?
You can request a quote for Ethyl 7H-purine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7H-purine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7H-purine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.