3-Desoxynaltrexone
TL;DR: 3-Desoxynaltrexone (CAS 152659-61-5) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: 3-Desoxynaltrexone, J1.041.523C, 4,5alpha-Epoxy-17-(cyclopropylmethyl)-14-hydroxymorphinan-6-one, (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxymorphinan-6-one, 17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxymorphinan-6-one, (5alpha)-
Technical Specifications
| Molecular Formula | C20H23NO3 |
| Molecular Weight | 325.1678 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1678 Da |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
| SMILES | C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=CC=C6)O5)O |
| InChIKey | SUPMBXSJDVIFQJ-BTHPGYMESA-N |
Chemical Property Profile of 3-Desoxynaltrexone
Property Insights of 3-Desoxynaltrexone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Desoxynaltrexone. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Desoxynaltrexone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Desoxynaltrexone 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 3-Desoxynaltrexone?
The CAS number of 3-Desoxynaltrexone is 152659-61-5.
What is the molecular formula of 3-Desoxynaltrexone?
The molecular formula of 3-Desoxynaltrexone is C20H23NO3.
What is the molecular weight of 3-Desoxynaltrexone?
The molecular weight of 3-Desoxynaltrexone is 325.1678 g/mol.
Where can I buy 3-Desoxynaltrexone?
You can request a quote for 3-Desoxynaltrexone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Desoxynaltrexone?
Yes, CoreyChem provides custom synthesis services for 3-Desoxynaltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.