![2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide structure](/static/products/836/836635-17-7.png)
2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide
TL;DR: 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 836635-17-7) is a chemical compound with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-(7,7-Dimethyl-4-phenyl-6,9-dihydro-7H-8-oxa-1,2,3a,5-tetraaza-cyclopenta[a]naphthalen-3-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide, 2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C25H25N5O3S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 4.382 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16782 |
| Heavy Atoms | 34 |
| Complexity | 1336.4324 |
Chemical Identifiers
| CAS Number | 836635-17-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=N2)C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC)C |
Product Overview
2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 836635-17-7), with molecular formula C25H25N5O3S and molecular weight 475.17 g/mol. IUPAC: 2-[(11,11-dimethyl-7-phenyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide
Property Insights of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide
The XLogP value of 4.382 indicates that 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 7 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-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide is 836635-17-7.
What is the molecular formula of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide is C25H25N5O3S.
What is the molecular weight of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide is 475.17 g/mol.
Where can I buy 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-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-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((8,8-dimethyl-5-phenyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.