TL;DR: Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- (CAS 50332-37-1) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl-(4-methoxyphenyl)methanone
Also Known As: 5-(p-Anisoyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indole, Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(4-methoxybenzoyl)-, CYCLOHEPTA(b)-1,3-DIOXOLO(4,5-f)INDOLE, 5,6,7,8,9,10-HEXAHYDRO-5-(p-ANISOYL)-, 5H-1,3-DIOXOLO(4,5-b)CARBAZOLE,6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL), (5,6,7,8,9,10-Hexahydro-2H-cyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)(4-methoxyphenyl)methanone
| Molecular Formula | C22H21NO4 |
| Molecular Weight | 363.14706 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.14706 Da |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5 |
| InChIKey | YCFCSJJQQJMSCC-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)-. Following Lipinski's Rule of Five, Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- is 50332-37-1.
The molecular formula of Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- is C22H21NO4.
The molecular weight of Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-anisoyl)- is 363.14706 g/mol.
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