Pregnenolone-naltrexone azine
TL;DR: Pregnenolone-naltrexone azine (CAS 108743-74-4) is a chemical compound with molecular formula C41H55N3O4 and molecular weight 653.41925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7E,7aS)-3-(cyclopropylmethyl)-7-[(E)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethylidenehydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Pregnenolone-naltrexone azine, PH-NX, Naltrexone-pregnenolone mixed azine, Pregn-5-en-20-one, 3-hydroxy-, ((5alpha,6E)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-ylidene)hydrazone, (3beta,20E)-, (7E,7aS)-3-(cyclopropylmethyl)-7-[(E)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethylidenehydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoq
Technical Specifications
| Molecular Formula | C41H55N3O4 |
| Molecular Weight | 653.41925 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 653.41925 Da |
| Heavy Atoms | 48 |
| Complexity | 1440.0 |
| SMILES | C/C(=N\N=C\1/CCC2(C3CC4=C5C2([C@@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)/[C@H]7CC[C@@H]8[C@@]7(CC[C@H]9[C@H]8CC=C1[C@@]9(CC[C@@H](C1)O)C)C |
| InChIKey | BRUOIIRRNBKKHH-XSMYIDEESA-N |
Chemical Property Profile of Pregnenolone-naltrexone azine
Property Insights of Pregnenolone-naltrexone azine
The XLogP value of 6.5 indicates that Pregnenolone-naltrexone azine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnenolone-naltrexone azine. Following Lipinski's Rule of Five, Pregnenolone-naltrexone azine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pregnenolone-naltrexone azine?
The CAS number of Pregnenolone-naltrexone azine is 108743-74-4.
What is the molecular formula of Pregnenolone-naltrexone azine?
The molecular formula of Pregnenolone-naltrexone azine is C41H55N3O4.
What is the molecular weight of Pregnenolone-naltrexone azine?
The molecular weight of Pregnenolone-naltrexone azine is 653.41925 g/mol.
Where can I buy Pregnenolone-naltrexone azine?
You can request a quote for Pregnenolone-naltrexone azine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pregnenolone-naltrexone azine?
Yes, CoreyChem provides custom synthesis services for Pregnenolone-naltrexone azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.