![2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide structure](/static/products/500/500277-41-8.png)
2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
TL;DR: 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide (CAS 500277-41-8) is a chemical compound with molecular formula C26H25N3O2S3 and molecular weight 507.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-phenylpropanamide
Also Known As: 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide, 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
| Molecular Formula | C26H25N3O2S3 |
|---|---|
| Molecular Weight | 507.11 g/mol |
| LogP | 6.1344 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.1109 |
| Heavy Atoms | 34 |
| Complexity | 1412.2576 |
Chemical Identifiers
| CAS Number | 500277-41-8 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C4=C(S3)CSC(C4)(C)C)C(=O)N2C5=CC=CC=C5 |
Product Overview
2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide (CAS 500277-41-8), with molecular formula C26H25N3O2S3 and molecular weight 507.11 g/mol. IUPAC: 2-[(12,12-dimethyl-3-oxo-4-phenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-phenylpropanamide.
Chemical Property Profile of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
Property Insights of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide
The XLogP value of 6.1344 indicates that 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide. Following Lipinski's Rule of Five, 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The CAS number of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is 500277-41-8.
What is the molecular formula of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The molecular formula of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is C26H25N3O2S3.
What is the molecular weight of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
The molecular weight of 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide is 507.11 g/mol.
Where can I buy 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
You can request a quote for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,6-dimethyl-4-oxo-3-phenyl-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.