Desacetyllevonantradol
TL;DR: Desacetyllevonantradol (CAS 80286-75-5) is a chemical compound with molecular formula C25H33NO3 and molecular weight 395.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
Also Known As: Desacetyllevonantradol, Desacetylnantradol, (6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol, desacetylnantradol, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-, (6S)-5,6,6abeta,7,8,9,10,10aalpha-Octahydro-6-methyl-3-[(R)-1-methyl-4-phenylbutoxy]phenanthridine-1,9beta-diol
| Molecular Formula | C25H33NO3 |
|---|---|
| Molecular Weight | 395.25 g/mol |
| LogP | 5.241 |
| Topological Polar Surface Area | 61.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.24603 |
| Heavy Atoms | 29 |
| Complexity | 822.31824 |
Chemical Identifiers
| CAS Number | 80286-75-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3O)O[C@H](C)CCCC4=CC=CC=C4)O |
Product Overview
Desacetyllevonantradol (CAS 80286-75-5), with molecular formula C25H33NO3 and molecular weight 395.25 g/mol. IUPAC: (6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol.
Chemical Property Profile of Desacetyllevonantradol
Property Insights of Desacetyllevonantradol
The XLogP value of 5.241 indicates that Desacetyllevonantradol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Desacetyllevonantradol. Following Lipinski's Rule of Five, Desacetyllevonantradol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desacetyllevonantradol?
The CAS number of Desacetyllevonantradol is 80286-75-5.
What is the molecular formula of Desacetyllevonantradol?
The molecular formula of Desacetyllevonantradol is C25H33NO3.
What is the molecular weight of Desacetyllevonantradol?
The molecular weight of Desacetyllevonantradol is 395.25 g/mol.
Where can I buy Desacetyllevonantradol?
You can request a quote for Desacetyllevonantradol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetyllevonantradol?
Yes, KEHONG BIO provides custom synthesis services for Desacetyllevonantradol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.