![2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide structure](/static/products/586/586990-15-0.png)
2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide
TL;DR: 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide (CAS 586990-15-0) is a chemical compound with molecular formula C27H29N5O3S and molecular weight 503.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-(4-methylphenyl)propanamide
Also Known As: 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide, 2-[4-(4-Methoxy-phenyl)-7,7-dimethyl-6,9-dihydro-7H-8-oxa-1,2,3a,5-tetraaza-cyclopenta[a]naphthalen-3-ylsulfanyl]-N-p-tolyl-propionamide, 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)propanamide
| Molecular Formula | C27H29N5O3S |
|---|---|
| Molecular Weight | 503.20 g/mol |
| LogP | 5.07892 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.1991 |
| Heavy Atoms | 36 |
| Complexity | 1414.3759 |
Chemical Identifiers
| CAS Number | 586990-15-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C3N2C(=NC4=C3COC(C4)(C)C)C5=CC=C(C=C5)OC |
Product Overview
2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide (CAS 586990-15-0), with molecular formula C27H29N5O3S and molecular weight 503.20 g/mol. IUPAC: 2-[[7-(4-methoxyphenyl)-11,11-dimethyl-12-oxa-3,4,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]sulfanyl]-N-(4-methylphenyl)propanamide.
Chemical Property Profile of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide
Property Insights of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide
The XLogP value of 5.07892 indicates that 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide 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-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide. Following Lipinski's Rule of Five, 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide 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-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide?
The CAS number of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide is 586990-15-0.
What is the molecular formula of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide?
The molecular formula of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide is C27H29N5O3S.
What is the molecular weight of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide?
The molecular weight of 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide is 503.20 g/mol.
Where can I buy 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide?
You can request a quote for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-methoxyphenyl)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.