Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate
TL;DR: Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate (CAS 91141-73-0) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate
Also Known As: Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate, Diethyl 2-[(7H-purin-6-yl)sulfanyl]butanedioate, Butanedioic acid, 2-(9H-purin-6-ylthio)-, 1,4-diethyl ester, Butanedioic acid,2-(9H-purin-6-ylthio)-,1,4-diethyl ester
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.3299 |
| Topological Polar Surface Area | 107.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 660.2824 |
Chemical Identifiers
| CAS Number | 91141-73-0 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SC1=NC=NC2=C1NC=N2 |
Product Overview
Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate (CAS 91141-73-0), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate.
Chemical Property Profile of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate
Property Insights of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate
The XLogP value of 1.3299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate. The TPSA of 107.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate. Following Lipinski's Rule of Five, Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate has 1 hydrogen bond donor(s) and 8 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 Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate?
The CAS number of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate is 91141-73-0.
What is the molecular formula of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate?
The molecular formula of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate is C13H16N4O4S.
What is the molecular weight of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate?
The molecular weight of Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate is 324.09 g/mol.
Where can I buy Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate?
You can request a quote for Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(7H-purin-6-ylsulfanyl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.