![9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one structure](/static/products/845/845635-45-2.png)
9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
TL;DR: 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 845635-45-2) is a chemical compound with molecular formula C28H26N4O3 and molecular weight 466.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-13-[(2-methylphenoxy)methyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one, 9,9-dimethyl-2-[(2-methylphenoxy)methyl]-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
| Molecular Formula | C28H26N4O3 |
|---|---|
| Molecular Weight | 466.20 g/mol |
| LogP | 5.17922 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.2005 |
| Heavy Atoms | 35 |
| Complexity | 1486.8771 |
Chemical Identifiers
| CAS Number | 845635-45-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=CC=C6 |
Product Overview
9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 845635-45-2), with molecular formula C28H26N4O3 and molecular weight 466.20 g/mol. IUPAC: 5,5-dimethyl-13-[(2-methylphenoxy)methyl]-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
Chemical Property Profile of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
Property Insights of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
The XLogP value of 5.17922 indicates that 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one. Following Lipinski's Rule of Five, 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one has 0 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 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The CAS number of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 845635-45-2.
What is the molecular formula of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The molecular formula of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is C28H26N4O3.
What is the molecular weight of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The molecular weight of 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 466.20 g/mol.
Where can I buy 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
You can request a quote for 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9,9-dimethyl-12-phenyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.