2-Azachlormadinone acetate
TL;DR: 2-Azachlormadinone acetate (CAS 105165-23-9) is a chemical compound with molecular formula C22H28ClNO4 and molecular weight 405.1707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate
Also Known As: 2-Azachlormadinone acetate, 17-Acetoxy-6-chloro-2-azapregna-4,6-diene-3,20-dione, [(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl] acetate, (4aR,4bS,6aS,7R,9aS,9bR)-7-Acetyl-11-chloro-2-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4H-indeno[4,5-h]isoquinolin-7-yl acetate, (4aR,4bS,6aS,7R,9aS,9bR)-7-acetyl-11-chloro-4a,6a-dimethyl-2-oxo-2H,3H,4H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH-indeno[4,5-h]isoquinolin-7-yl acetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H28ClNO4 |
| Molecular Weight | 405.1707 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.1707 Da |
| Heavy Atoms | 28 |
| Complexity | 832.0 |
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)NC[C@]34C)Cl)C)OC(=O)C |
| InChIKey | OOHUAUAZGBDNEC-OFUYBIASSA-N |
Chemical Property Profile of 2-Azachlormadinone acetate
Property Insights of 2-Azachlormadinone acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azachlormadinone acetate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Azachlormadinone acetate. Following Lipinski's Rule of Five, 2-Azachlormadinone acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Azachlormadinone acetate?
The CAS number of 2-Azachlormadinone acetate is 105165-23-9.
What is the molecular formula of 2-Azachlormadinone acetate?
The molecular formula of 2-Azachlormadinone acetate is C22H28ClNO4.
What is the molecular weight of 2-Azachlormadinone acetate?
The molecular weight of 2-Azachlormadinone acetate is 405.1707 g/mol.
Where can I buy 2-Azachlormadinone acetate?
You can request a quote for 2-Azachlormadinone acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Azachlormadinone acetate?
Yes, CoreyChem provides custom synthesis services for 2-Azachlormadinone acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.