![12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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/844/844831-35-2.png)
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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: 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 844831-35-2) is a chemical compound with molecular formula C30H30N4O5 and molecular weight 526.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-5,5-dimethyl-13-[(2-methylphenoxy)methyl]-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: 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one, 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-[(2-methylphenoxy)methyl]-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
| Molecular Formula | C30H30N4O5 |
|---|---|
| Molecular Weight | 526.22 g/mol |
| LogP | 5.19642 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.2216 |
| Heavy Atoms | 39 |
| Complexity | 1637.8705 |
Chemical Identifiers
| CAS Number | 844831-35-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC(=C(C=C6)OC)OC |
Product Overview
12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 844831-35-2), with molecular formula C30H30N4O5 and molecular weight 526.22 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-5,5-dimethyl-13-[(2-methylphenoxy)methyl]-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 5.19642 indicates that 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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, 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 844831-35-2.
What is the molecular formula of 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is C30H30N4O5.
What is the molecular weight of 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-2-((o-tolyloxy)methyl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 526.22 g/mol.
Where can I buy 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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 12-(3,4-dimethoxyphenyl)-9,9-dimethyl-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.