Estrone-naloxone azine
TL;DR: Estrone-naloxone azine (CAS 91712-59-3) is a chemical compound with molecular formula C37H43N3O4 and molecular weight 593.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Estrone-naloxone azine
| Molecular Formula | C37H43N3O4 |
|---|---|
| Molecular Weight | 593.33 g/mol |
| LogP | 5.7912 |
| Topological Polar Surface Area | 97.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 593.3254 |
| Heavy Atoms | 44 |
| Complexity | 1649.2122 |
Chemical Identifiers
| CAS Number | 91712-59-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=NN=C4CCC5(C6CC7=C8C5(C4OC8=C(C=C7)O)CCN6CC=C)O)CCC9=C3C=CC(=C9)O |
Product Overview
Estrone-naloxone azine (CAS 91712-59-3), with molecular formula C37H43N3O4 and molecular weight 593.33 g/mol. IUPAC: 7-[(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol.
Chemical Property Profile of Estrone-naloxone azine
Property Insights of Estrone-naloxone azine
The XLogP value of 5.7912 indicates that Estrone-naloxone azine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrone-naloxone azine. Following Lipinski's Rule of Five, Estrone-naloxone azine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estrone-naloxone azine?
The CAS number of Estrone-naloxone azine is 91712-59-3.
What is the molecular formula of Estrone-naloxone azine?
The molecular formula of Estrone-naloxone azine is C37H43N3O4.
What is the molecular weight of Estrone-naloxone azine?
The molecular weight of Estrone-naloxone azine is 593.33 g/mol.
Where can I buy Estrone-naloxone azine?
You can request a quote for Estrone-naloxone azine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone-naloxone azine?
Yes, KEHONG BIO provides custom synthesis services for Estrone-naloxone azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.