![N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide structure](/static/products/840/840474-10-4.png)
N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
TL;DR: N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 840474-10-4) is a chemical compound with molecular formula C25H28N4O4S2 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
Also Known As: N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[4-(acetylamino)phenyl]-2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C25H28N4O4S2 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 4.5746 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.1552 |
| Heavy Atoms | 35 |
| Complexity | 1372.85 |
Chemical Identifiers
| CAS Number | 840474-10-4 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)SC4=C2CC(OC4)(C)C |
Product Overview
N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 840474-10-4), with molecular formula C25H28N4O4S2 and molecular weight 512.16 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
Property Insights of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
The XLogP value of 4.5746 indicates that N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The CAS number of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 840474-10-4.
What is the molecular formula of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular formula of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is C25H28N4O4S2.
What is the molecular weight of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
The molecular weight of N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide is 512.16 g/mol.
Where can I buy N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
You can request a quote for N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetamidophenyl)-2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.