![2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide structure](/static/products/799/799786-50-8.png)
2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
TL;DR: 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide (CAS 799786-50-8) is a chemical compound with molecular formula C30H33N3O3S2 and molecular weight 547.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
Also Known As: 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide, 2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
| Molecular Formula | C30H33N3O3S2 |
|---|---|
| Molecular Weight | 547.20 g/mol |
| LogP | 7.1436 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.19635 |
| Heavy Atoms | 38 |
| Complexity | 1418.4647 |
Chemical Identifiers
| CAS Number | 799786-50-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)N(C)C5=CC=CC=C5 |
Product Overview
2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide (CAS 799786-50-8), with molecular formula C30H33N3O3S2 and molecular weight 547.20 g/mol. IUPAC: 2-[[5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl]sulfanyl]-N-methyl-N-phenylacetamide.
Chemical Property Profile of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
Property Insights of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide
The XLogP value of 7.1436 indicates that 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide has 0 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-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide?
The CAS number of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide is 799786-50-8.
What is the molecular formula of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide?
The molecular formula of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide is C30H33N3O3S2.
What is the molecular weight of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide?
The molecular weight of 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide is 547.20 g/mol.
Where can I buy 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide?
You can request a quote for 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-butoxyphenyl)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-methyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.