![2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide structure](/static/products/899/899400-92-1.png)
2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
TL;DR: 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide (CAS 899400-92-1) is a chemical compound with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-chlorophenyl)-11-ethyl-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide
Also Known As: 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide, 2-[3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
| Molecular Formula | C19H19ClN4O3S |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 1.7306 |
| Topological Polar Surface Area | 90.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.08664 |
| Heavy Atoms | 28 |
| Complexity | 1210.3347 |
Chemical Identifiers
| CAS Number | 899400-92-1 |
|---|---|
| SMILES | CCN1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)C4=CC(=CC=C4)Cl |
Product Overview
2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide (CAS 899400-92-1), with molecular formula C19H19ClN4O3S and molecular weight 418.09 g/mol. IUPAC: 2-[4-(3-chlorophenyl)-11-ethyl-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetamide.
Chemical Property Profile of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
Property Insights of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide
The XLogP value of 1.7306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide. The TPSA of 90.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide. Following Lipinski's Rule of Five, 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide has 1 hydrogen bond donor(s) and 5 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-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide?
The CAS number of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide is 899400-92-1.
What is the molecular formula of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide?
The molecular formula of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide is C19H19ClN4O3S.
What is the molecular weight of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide?
The molecular weight of 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide is 418.09 g/mol.
Where can I buy 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide?
You can request a quote for 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(3-chlorophenyl)-7-ethyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.