TL;DR: 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one (CAS 1020252-03-2) is a chemical compound with molecular formula C24H28N2O4 and molecular weight 408.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-hydroxy-3,5-dimethoxyphenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one, 6-(4-hydroxy-3,5-dimethoxyphenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-(4-hydroxy-3,5-dimethoxyphenyl)-3,3,8-trimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 2,10-diaza-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5,13-trimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(15),3(8),11(12),13-tetraen-7-one, 6-(4-hydroxy-3,5-dimethoxy-phenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C24H28N2O4 |
| Molecular Weight | 408.2049 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.2049 Da |
| Heavy Atoms | 30 |
| Complexity | 677.0 |
| SMILES | CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC(=C(C(=C4)OC)O)OC)C(=O)CC(C3)(C)C |
| InChIKey | UAUXGUXAQNUKCY-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one. Following Lipinski's Rule of Five, 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is 1020252-03-2.
The molecular formula of 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is C24H28N2O4.
The molecular weight of 10-(4-hydroxy-3,5-dimethoxyphenyl)-6,14,14-trimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one is 408.2049 g/mol.
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