![2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide structure](/static/products/838/838851-98-2.png)
2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide
TL;DR: 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide (CAS 838851-98-2) is a chemical compound with molecular formula C24H24N4O2S2 and molecular weight 464.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,5-dimethyl-15-oxo-6,17-dithia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-phenylethyl)acetamide
Also Known As: 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide, 2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)-N-(2-phenylethyl)acetamide
| Molecular Formula | C24H24N4O2S2 |
|---|---|
| Molecular Weight | 464.13 g/mol |
| LogP | 3.933 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.13406 |
| Heavy Atoms | 32 |
| Complexity | 1375.7898 |
Chemical Identifiers
| CAS Number | 838851-98-2 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CS1)C4=C(S3)C(=O)N(C=N4)CC(=O)NCCC5=CC=CC=C5)C |
Product Overview
2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide (CAS 838851-98-2), with molecular formula C24H24N4O2S2 and molecular weight 464.13 g/mol. IUPAC: 2-(5,5-dimethyl-15-oxo-6,17-dithia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide
Property Insights of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide
The XLogP value of 3.933 indicates that 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide has 1 hydrogen bond donor(s) and 6 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 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide?
The CAS number of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide is 838851-98-2.
What is the molecular formula of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide?
The molecular formula of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide is C24H24N4O2S2.
What is the molecular weight of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide?
The molecular weight of 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide is 464.13 g/mol.
Where can I buy 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide?
You can request a quote for 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(8,8-dimethyl-4-oxo-4,7,8,10-tetrahydro-3H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3-yl)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.