![2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide structure](/static/products/577/577983-97-2.png)
2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide
TL;DR: 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide (CAS 577983-97-2) is a chemical compound with molecular formula C26H24ClN3O3S2 and molecular weight 525.09 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-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, 2-{[3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C26H24ClN3O3S2 |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | 5.99112 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.0948 |
| Heavy Atoms | 35 |
| Complexity | 1492.4971 |
Chemical Identifiers
| CAS Number | 577983-97-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide (CAS 577983-97-2), with molecular formula C26H24ClN3O3S2 and molecular weight 525.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide
Property Insights of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide
The XLogP value of 5.99112 indicates that 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide has 1 hydrogen bond donor(s) and 6 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-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide?
The CAS number of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide is 577983-97-2.
What is the molecular formula of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide?
The molecular formula of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide is C26H24ClN3O3S2.
What is the molecular weight of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide?
The molecular weight of 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide is 525.09 g/mol.
Where can I buy 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide?
You can request a quote for 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-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-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-chlorophenyl)-6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.