TL;DR: 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate (CAS 105734-78-9) is a chemical compound with molecular formula C24H19ClO4S and molecular weight 438.06924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[16-(benzenesulfonyl)-9-chloro-8-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaenyl] acetate
Also Known As: 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate, 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanod, 12-(Benzenesulfonyl)-10-chloro-10,11-dihydro-5H-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate
| Molecular Formula | C24H19ClO4S |
| Molecular Weight | 438.06924 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.06924 Da |
| Heavy Atoms | 30 |
| Complexity | 771.0 |
| SMILES | CC(=O)OC1C2=CC=CC=C2C3C(C1(C4=CC=CC=C34)Cl)S(=O)(=O)C5=CC=CC=C5 |
| InChIKey | QPFMXYFKHLFHNL-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate. Following Lipinski's Rule of Five, 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate has 0 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 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate is 105734-78-9.
The molecular formula of 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate is C24H19ClO4S.
The molecular weight of 10-chloro-12-(phenylsulfonyl)-10,11-dihydro-5h-5,10-methanodibenzo[a,d][7]annulen-11-yl acetate is 438.06924 g/mol.
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