N-Methylnantradol
TL;DR: N-Methylnantradol (CAS 78513-74-3) is a chemical compound with molecular formula C28H37NO4 and molecular weight 451.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-hydroxy-5,6-dimethyl-3-(5-phenylpentan-2-yloxy)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-1-yl] acetate
Also Known As: N-Methylnantradol, N-Methyllevonantradol, [9-hydroxy-5,6-dimethyl-3-(5-phenylpentan-2-yloxy)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-1-yl] acetate, 1,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-5,6-dimethyl-3-(1-methyl-4-phenylbutoxy)-, 1-acetate, (6S-(3(S*),6alpha,6aalpha,9alpha,10abeta))-, 9-HYDROXY-5,6-DIMETHYL-3-[(5-PHENYLPENTAN-2-YL)OXY]-5,6,6A,7,8,9,10,10A-OCTAHYDROPHENANTHRIDIN-1-YL ACETATE
| Molecular Formula | C28H37NO4 |
|---|---|
| Molecular Weight | 451.27 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.27225 |
| Heavy Atoms | 33 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 78513-74-3 |
|---|---|
| SMILES | CC1C2CCC(CC2C3=C(N1C)C=C(C=C3OC(=O)C)OC(C)CCCC4=CC=CC=C4)O |
| InChIKey | TYTNJHKTKQNNKL-UHFFFAOYSA-N |
Product Overview
N-Methylnantradol (CAS 78513-74-3), with molecular formula C28H37NO4 and molecular weight 451.27 g/mol. IUPAC: [9-hydroxy-5,6-dimethyl-3-(5-phenylpentan-2-yloxy)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-1-yl] acetate.
Chemical Property Profile of N-Methylnantradol
Property Insights of N-Methylnantradol
The XLogP value of 5.6 indicates that N-Methylnantradol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, N-Methylnantradol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylnantradol has 1 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 N-Methylnantradol?
The CAS number of N-Methylnantradol is 78513-74-3.
What is the molecular formula of N-Methylnantradol?
The molecular formula of N-Methylnantradol is C28H37NO4.
What is the molecular weight of N-Methylnantradol?
The molecular weight of N-Methylnantradol is 451.27 g/mol.
Where can I buy N-Methylnantradol?
You can request a quote for N-Methylnantradol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylnantradol?
Yes, KEHONG BIO provides custom synthesis services for N-Methylnantradol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.