![ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE structure](/static/products/6629/6629-93-2.webp)
ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE
TL;DR: ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE (CAS 6629-93-2) is a chemical compound with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate
Also Known As: ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE, ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate, Ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetate
| Molecular Formula | C13H15N5O4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | -0.38752 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.08447 |
| Heavy Atoms | 23 |
| Complexity | 917.54877 |
Chemical Identifiers
| CAS Number | 6629-93-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(N1CC#N)C(=O)N(C(=O)N2C)C |
Product Overview
ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE (CAS 6629-93-2), with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol. IUPAC: ethyl 2-[7-(cyanomethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate.
Chemical Property Profile of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE
Property Insights of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE
The XLogP value of -0.38752 indicates that ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE. Following Lipinski's Rule of Five, ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE has 0 hydrogen bond donor(s) and 7 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 {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE?
The CAS number of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE is 6629-93-2.
What is the molecular formula of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE?
The molecular formula of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE is C13H15N5O4S.
What is the molecular weight of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE?
The molecular weight of ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE is 337.08 g/mol.
Where can I buy ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE?
You can request a quote for ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL {[7-(CYANOMETHYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL}ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.