TL;DR: Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- (CAS 50332-36-0) is a chemical compound with molecular formula C22H21NO3 and molecular weight 347.15213 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-methylphenyl)methanone
Also Known As: 5-(p-Toluoyl)-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-methylbenzoyl)-, CYCLOHEPTA(b)-1,3-DIOXOLO(4,5-f)INDOLE, 5,6,7,8,9,10-HEXAHYDRO-5-(p-TOLUOYL)-, 5-(4-methyl-benzoyl)-5,6,7,8,9,10-hexahydro-cyclohepta[b][1,3]dioxolo[4,5-f]indole, 5H-1,3-DIOXOLO(4,5-b)CARBAZOLE,6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL)
| Molecular Formula | C22H21NO3 |
| Molecular Weight | 347.15213 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.15213 Da |
| Heavy Atoms | 26 |
| Complexity | 529.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2CCCCC3=C2C4=CC5=C(C=C4N3)OCO5 |
| InChIKey | PIFRCHBZYGGBTB-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- has 1 hydrogen bond donor(s) and 3 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-toluoyl)- is 50332-36-0.
The molecular formula of Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- is C22H21NO3.
The molecular weight of Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(p-toluoyl)- is 347.15213 g/mol.
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