![2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide structure](/static/products/843/843628-68-2.png)
2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
TL;DR: 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide (CAS 843628-68-2) is a chemical compound with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[11-(4-chlorophenyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl]-N-(2-phenylethyl)acetamide
Also Known As: 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide, 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
| Molecular Formula | C25H22ClN3O3S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 3.7149 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.10703 |
| Heavy Atoms | 33 |
| Complexity | 1453.0216 |
Chemical Identifiers
| CAS Number | 843628-68-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCCC4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide (CAS 843628-68-2), with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol. IUPAC: 2-[11-(4-chlorophenyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
Property Insights of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide
The XLogP value of 3.7149 indicates that 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[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 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide has 1 hydrogen bond donor(s) and 4 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-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The CAS number of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is 843628-68-2.
What is the molecular formula of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The molecular formula of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is C25H22ClN3O3S.
What is the molecular weight of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
The molecular weight of 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide is 479.11 g/mol.
Where can I buy 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
You can request a quote for 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[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)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[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.