![2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide structure](/static/products/488/488804-55-3.png)
2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide
TL;DR: 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 488804-55-3) is a chemical compound with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[12,12-dimethyl-4-(3-methylphenyl)-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-(3-methoxyphenyl)acetamide
Also Known As: 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C27H27N3O4S2 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 5.34632 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1443 |
| Heavy Atoms | 36 |
| Complexity | 1523.475 |
Chemical Identifiers
| CAS Number | 488804-55-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC=C4)OC)SC5=C3CC(OC5)(C)C |
Product Overview
2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 488804-55-3), with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol. IUPAC: 2-[[12,12-dimethyl-4-(3-methylphenyl)-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-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide
Property Insights of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide
The XLogP value of 5.34632 indicates that 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide is 488804-55-3.
What is the molecular formula of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide is C27H27N3O4S2.
What is the molecular weight of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide is 521.14 g/mol.
Where can I buy 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6,6-dimethyl-4-oxo-3-(m-tolyl)-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.