Naltrexonazine
TL;DR: Naltrexonazine (CAS 82823-99-2) is a chemical compound with molecular formula C40H46N4O6 and molecular weight 678.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Naltrexonazine, NCI60_004862, 3-(Cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol, 6,6'-Hydrazinediylidenebis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]
| Molecular Formula | C40H46N4O6 |
|---|---|
| Molecular Weight | 678.34 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 678.34174 |
| Heavy Atoms | 50 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 82823-99-2 |
|---|---|
| SMILES | C1CC1CN2CCC34C5C(=NN=C6CCC7(C8CC9=C1C7(C6OC1=C(C=C9)O)CCN8CC1CC1)O)CCC3(C2CC1=C4C(=C(C=C1)O)O5)O |
| InChIKey | GSYDZKZBXPTRGD-UHFFFAOYSA-N |
Product Overview
Naltrexonazine (CAS 82823-99-2), with molecular formula C40H46N4O6 and molecular weight 678.34 g/mol. IUPAC: 3-(cyclopropylmethyl)-7-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]hydrazinylidene]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol.
Chemical Property Profile of Naltrexonazine
Property Insights of Naltrexonazine
The XLogP value of 4.0 indicates that Naltrexonazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltrexonazine. Following Lipinski's Rule of Five, Naltrexonazine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naltrexonazine?
The CAS number of Naltrexonazine is 82823-99-2.
What is the molecular formula of Naltrexonazine?
The molecular formula of Naltrexonazine is C40H46N4O6.
What is the molecular weight of Naltrexonazine?
The molecular weight of Naltrexonazine is 678.34 g/mol.
Where can I buy Naltrexonazine?
You can request a quote for Naltrexonazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naltrexonazine?
Yes, KEHONG BIO provides custom synthesis services for Naltrexonazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.