![4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one structure](/static/products/369/369607-83-0.png)
4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
TL;DR: 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 369607-83-0) is a chemical compound with molecular formula C14H17N5OS2 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,12,12,13-tetramethyl-3-sulfanylidene-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4,7,7,8-tetramethyl-1-thioxo-2,4,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C14H17N5OS2 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 2.07179 |
| Topological Polar Surface Area | 58.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 335.08746 |
| Heavy Atoms | 22 |
| Complexity | 1035.5209 |
Chemical Identifiers
| CAS Number | 369607-83-0 |
|---|---|
| SMILES | CC1(CC2=C(CN1C)SC3=C2C(=O)N(C4=NNC(=S)N34)C)C |
Product Overview
4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 369607-83-0), with molecular formula C14H17N5OS2 and molecular weight 335.09 g/mol. IUPAC: 7,12,12,13-tetramethyl-3-sulfanylidene-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one.
Chemical Property Profile of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Property Insights of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
The XLogP value of 2.07179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one. With a topological polar surface area (TPSA) of 58.33 Ų, 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one 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 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The CAS number of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 369607-83-0.
What is the molecular formula of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular formula of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is C14H17N5OS2.
What is the molecular weight of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
The molecular weight of 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is 335.09 g/mol.
Where can I buy 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
You can request a quote for 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,7,7,8-tetramethyl-1-thioxo-1,2,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.