Nantradol Hydrochloride
TL;DR: Nantradol Hydrochloride (CAS 65511-42-4) is a chemical compound with molecular formula C27H36ClNO4 and molecular weight 473.23 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;hydrochloride
Also Known As: Nantradol HCl, NANTRADOL HYDROCHLORIDE, Levonantradol, Nantradol hydrochloride [USAN], MCV 4161
| Molecular Formula | C27H36ClNO4 |
|---|---|
| Molecular Weight | 473.23 g/mol |
| LogP | 5.88 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.23328 |
| Heavy Atoms | 33 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 65511-42-4 |
|---|---|
| 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.Cl |
| InChIKey | NSOGAHPJIFTUHV-DVTLTWPTSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nantradol Hydrochloride (CAS 65511-42-4), with molecular formula C27H36ClNO4 and molecular weight 473.23 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;hydrochloride.
Chemical Property Profile of Nantradol Hydrochloride
Property Insights of Nantradol Hydrochloride
The XLogP value of 5.88 indicates that Nantradol Hydrochloride 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 Hydrochloride. Following Lipinski's Rule of Five, Nantradol Hydrochloride has 3 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 Hydrochloride?
The CAS number of Nantradol Hydrochloride is 65511-42-4.
What is the molecular formula of Nantradol Hydrochloride?
The molecular formula of Nantradol Hydrochloride is C27H36ClNO4.
What is the molecular weight of Nantradol Hydrochloride?
The molecular weight of Nantradol Hydrochloride is 473.23 g/mol.
Where can I buy Nantradol Hydrochloride?
You can request a quote for Nantradol Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nantradol Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nantradol Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.