![ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate structure](/static/products/303/303013-75-4.png)
ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
TL;DR: ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate (CAS 303013-75-4) is a chemical compound with molecular formula C16H18N4O3S3 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,4-dimethyl-16-oxo-5,8-dithia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-14-yl)sulfanyl]acetate
Also Known As: ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate, ethyl 2-((7,7-dimethyl-5-oxo-5,6,7,9-tetrahydro-1H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetate
| Molecular Formula | C16H18N4O3S3 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 2.8554 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0541 |
| Heavy Atoms | 26 |
| Complexity | 1066.2332 |
Chemical Identifiers
| CAS Number | 303013-75-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC2=NC3=C(C4=C(S3)CSC(C4)(C)C)C(=O)N21 |
Product Overview
ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate (CAS 303013-75-4), with molecular formula C16H18N4O3S3 and molecular weight 410.05 g/mol. IUPAC: ethyl 2-[(4,4-dimethyl-16-oxo-5,8-dithia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-14-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
Property Insights of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate
The XLogP value of 2.8554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate 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 ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate?
The CAS number of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate is 303013-75-4.
What is the molecular formula of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate?
The molecular formula of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate is C16H18N4O3S3.
What is the molecular weight of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate?
The molecular weight of ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate is 410.05 g/mol.
Where can I buy ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate?
You can request a quote for ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-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 [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(7,7-dimethyl-5-oxo-1,6,7,9-tetrahydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.