Nantradol
TL;DR: Nantradol (CAS 65511-41-3) is a chemical compound with molecular formula C27H35NO4 and molecular weight 437.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
Also Known As: Nantradol, nantradolum, Levonantradol, Nantradol [INN], [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
| Molecular Formula | C27H35NO4 |
|---|---|
| Molecular Weight | 437.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.25662 |
| Heavy Atoms | 32 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 65511-41-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O |
| InChIKey | FFVXQGMUHIJQAO-KXUCESEGSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nantradol (CAS 65511-41-3), with molecular formula C27H35NO4 and molecular weight 437.26 g/mol. IUPAC: [(6S,6aR,9R,10aR)-9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate.
Chemical Property Profile of Nantradol
Property Insights of Nantradol
The XLogP value of 5.5 indicates that Nantradol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Nantradol. Following Lipinski's Rule of Five, Nantradol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nantradol?
The CAS number of Nantradol is 65511-41-3.
What is the molecular formula of Nantradol?
The molecular formula of Nantradol is C27H35NO4.
What is the molecular weight of Nantradol?
The molecular weight of Nantradol is 437.26 g/mol.
Where can I buy Nantradol?
You can request a quote for Nantradol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nantradol?
Yes, KEHONG BIO provides custom synthesis services for Nantradol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.