![2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide structure](/static/products/840/840486-68-2.png)
2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
TL;DR: 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide (CAS 840486-68-2) is a chemical compound with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(2-phenylethyl)acetamide
Also Known As: 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide, 2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(2-phenylethyl)acetamide
| Molecular Formula | C27H26ClN3O4S |
|---|---|
| Molecular Weight | 523.13 g/mol |
| LogP | 4.0775 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.13324 |
| Heavy Atoms | 36 |
| Complexity | 1552.6746 |
Chemical Identifiers
| CAS Number | 840486-68-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCCC4=CC=CC=C4)C5=CC=C(C=C5)Cl)C |
Product Overview
2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide (CAS 840486-68-2), with molecular formula C27H26ClN3O4S and molecular weight 523.13 g/mol. IUPAC: 2-[4-(4-chlorophenyl)-12,12-dimethyl-3,5-dioxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
Property Insights of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
The XLogP value of 4.0775 indicates that 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The CAS number of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is 840486-68-2.
What is the molecular formula of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The molecular formula of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is C27H26ClN3O4S.
What is the molecular weight of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The molecular weight of 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is 523.13 g/mol.
Where can I buy 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
You can request a quote for 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-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-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.