TL;DR: Naltrexone-estrone azine (CAS 140188-23-4) is a chemical compound with molecular formula C38H45N3O4 and molecular weight 607.341 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-3-(cyclopropylmethyl)-7-[(E)-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Naltrexone-estrone azine, EH-NX, (7Z)-3-(cyclopropylmethyl)-7-[(E)-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol, Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, ((3beta)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene)hydrazide, (5alpha)-
| Molecular Formula | C38H45N3O4 |
| Molecular Weight | 607.341 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 607.341 Da |
| Heavy Atoms | 45 |
| Complexity | 1280.0 |
| SMILES | CC1\2CCC3C(C1CC/C2=N\N=C/4\CCC5(C6CC7=C8C5(C4OC8=C(C=C7)O)CCN6CC9CC9)O)CCC1=C3C=CC(=C1)O |
| InChIKey | KWRMQORSCWANRR-XMSFGIAZSA-N |
The XLogP value of 6.0 indicates that Naltrexone-estrone 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 Naltrexone-estrone azine. Following Lipinski's Rule of Five, Naltrexone-estrone azine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Naltrexone-estrone azine is 140188-23-4.
The molecular formula of Naltrexone-estrone azine is C38H45N3O4.
The molecular weight of Naltrexone-estrone azine is 607.341 g/mol.
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