![2-(3-(3-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-(p-tolyl)acetamide structure](/static/products/799/799781-16-1.png)
2-(3-(3-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-(p-tolyl)acetamide
TL;DR: 2-(3-(3-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-(p-tolyl)acetamide (CAS 799781-16-1) is a chemical compound with molecular formula C26H24ClN3O4S and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-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-(4-methylphenyl)acetamide
Also Known As: 2-(3-(3-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-(p-tolyl)acetamide, 2-[3-(3-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-(4-methylphenyl)acetamide
| Molecular Formula | C26H24ClN3O4S |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 4.66572 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.1176 |
| Heavy Atoms | 35 |
| Complexity | 1581.4229 |
Chemical Identifiers
| CAS Number | 799781-16-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)COC(C4)(C)C)C(=O)N(C2=O)C5=CC(=CC=C5)Cl |
Product Overview
2-(3-(3-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-(p-tolyl)acetamide (CAS 799781-16-1), with molecular formula C26H24ClN3O4S and molecular weight 509.12 g/mol. IUPAC: 2-[4-(3-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-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-(3-(3-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-(p-tolyl)acetamide
Property Insights of 2-(3-(3-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-(p-tolyl)acetamide
The XLogP value of 4.66572 indicates that 2-(3-(3-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-(p-tolyl)acetamide 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-(3-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-(p-tolyl)acetamide. Following Lipinski's Rule of Five, 2-(3-(3-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-(p-tolyl)acetamide 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-(3-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-(p-tolyl)acetamide?
The CAS number of 2-(3-(3-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-(p-tolyl)acetamide is 799781-16-1.
What is the molecular formula of 2-(3-(3-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-(p-tolyl)acetamide?
The molecular formula of 2-(3-(3-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-(p-tolyl)acetamide is C26H24ClN3O4S.
What is the molecular weight of 2-(3-(3-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-(p-tolyl)acetamide?
The molecular weight of 2-(3-(3-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-(p-tolyl)acetamide is 509.12 g/mol.
Where can I buy 2-(3-(3-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-(p-tolyl)acetamide?
You can request a quote for 2-(3-(3-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-(p-tolyl)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)-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-(p-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(3-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-(p-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.