TL;DR: DELMADINONE ACETATE (CAS 13698-49-2) is a chemical compound with molecular formula C23H27ClO4 and molecular weight 402.1598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate
Also Known As: DELMADINONE ACETATE, 6-chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate, (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C23H27ClO4 |
| Molecular Weight | 402.1598 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1598 Da |
| Heavy Atoms | 28 |
| Complexity | 868.0 |
| SMILES | CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C=CC34C)Cl)C)OC(=O)C |
| InChIKey | CGBCCZZJVKUAMX-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that DELMADINONE ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for DELMADINONE ACETATE. Following Lipinski's Rule of Five, DELMADINONE 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 DELMADINONE ACETATE is 13698-49-2.
The molecular formula of DELMADINONE ACETATE is C23H27ClO4.
The molecular weight of DELMADINONE ACETATE is 402.1598 g/mol.
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