O-Demethylnitidine
TL;DR: O-Demethylnitidine (CAS 66804-22-6) is a chemical compound with molecular formula C20H16NO4+ and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-ol
Also Known As: O-Demethylnitidine, Terihanine, AKNZHZBYUFSHKB-UHFFFAOYSA-, 3-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-ol, [1,3]benzodioxolo[5,6-c]phenanthridinium, 2-hydroxy-3-methoxy-12-methyl-
| Molecular Formula | C20H16NO4+ |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.10794 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 66804-22-6 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)O |
| InChIKey | AKNZHZBYUFSHKB-UHFFFAOYSA-O |
Product Overview
O-Demethylnitidine (CAS 66804-22-6), with molecular formula C20H16NO4+ and molecular weight 334.11 g/mol. IUPAC: 3-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-ol.
Chemical Property Profile of O-Demethylnitidine
Property Insights of O-Demethylnitidine
The XLogP value of 4.3 indicates that O-Demethylnitidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, O-Demethylnitidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Demethylnitidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Demethylnitidine?
The CAS number of O-Demethylnitidine is 66804-22-6.
What is the molecular formula of O-Demethylnitidine?
The molecular formula of O-Demethylnitidine is C20H16NO4+.
What is the molecular weight of O-Demethylnitidine?
The molecular weight of O-Demethylnitidine is 334.11 g/mol.
Where can I buy O-Demethylnitidine?
You can request a quote for O-Demethylnitidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Demethylnitidine?
Yes, KEHONG BIO provides custom synthesis services for O-Demethylnitidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.