Naltrexone 14-acetate
TL;DR: Naltrexone 14-acetate (CAS 121962-99-0) is a chemical compound with molecular formula C22H25NO5 and molecular weight 383.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate
Also Known As: Naltrexone 14-acetate, 14-O-Acetylnaltrexone, Morphinan-6-one, 14-(acetyloxy)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-, (5alpha)-, 17-(Cyclopropylmethyl)-3-hydroxy-6-oxo-5alpha-4,5-epoxymorphinan-14-yl acetate, 4,5alpha-Epoxy-14beta-acetyloxy-3-hydroxy-17-cyclopropylmethylmorphinan-6-one
Technical Specifications
| Molecular Formula | C22H25NO5 |
| Molecular Weight | 383.17328 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.17328 Da |
| Heavy Atoms | 28 |
| Complexity | 722.0 |
| SMILES | CC(=O)O[C@@]12CCC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)CC6CC6 |
| InChIKey | KNZUMVWQRHFBQF-KDXIVRHGSA-N |
Chemical Property Profile of Naltrexone 14-acetate
Property Insights of Naltrexone 14-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naltrexone 14-acetate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltrexone 14-acetate. Following Lipinski's Rule of Five, Naltrexone 14-acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Naltrexone 14-acetate?
The CAS number of Naltrexone 14-acetate is 121962-99-0.
What is the molecular formula of Naltrexone 14-acetate?
The molecular formula of Naltrexone 14-acetate is C22H25NO5.
What is the molecular weight of Naltrexone 14-acetate?
The molecular weight of Naltrexone 14-acetate is 383.17328 g/mol.
Where can I buy Naltrexone 14-acetate?
You can request a quote for Naltrexone 14-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Naltrexone 14-acetate?
Yes, CoreyChem provides custom synthesis services for Naltrexone 14-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.