TL;DR: 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one (CAS 1023497-45-1) is a chemical compound with molecular formula C21H21ClN2O3 and molecular weight 384.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-6-(2,3-dihydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one, 3-chloro-6-(2,3-dihydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 6-chloro-10-(2,3-dihydroxyphenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
| Molecular Formula | C21H21ClN2O3 |
| Molecular Weight | 384.12408 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.12408 Da |
| Heavy Atoms | 27 |
| Complexity | 635.0 |
| SMILES | CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=C(C(=CC=C4)O)O)C(=O)C1)C |
| InChIKey | UMLOSAJAJDNYAT-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one. Following Lipinski's Rule of Five, 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one is 1023497-45-1.
The molecular formula of 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one is C21H21ClN2O3.
The molecular weight of 2,10-diaza-9-(2,3-dihydroxyphenyl)-13-chloro-5,5-dimethyltricyclo[9.4.0.0<3,8>]pentadeca-1(11),3(8),12,14-tetraen-7-one is 384.12408 g/mol.
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