TL;DR: 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 848767-32-8) is a chemical compound with molecular formula C31H24N4O3 and molecular weight 500.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C31H24N4O3 |
| Molecular Weight | 500.18484 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.18484 Da |
| Heavy Atoms | 38 |
| Complexity | 785.0 |
| SMILES | COC1=CC=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C6=CC=CC=C6C=C5)C7=CC=C(C=C7)OC |
| InChIKey | GZFUVCSTJQCGRE-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 848767-32-8.
The molecular formula of 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C31H24N4O3.
The molecular weight of 2-(4-methoxybenzyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 500.18484 g/mol.
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