硝柄啶
TL;DR: 硝柄啶 (CAS 6872-57-7) is a chemical compound with molecular formula C21H18NO4+ and molecular weight 348.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝柄啶
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Also Known As: Nitidine, Nitidine chloride, nitidine cation, oxynitdine, Nididine
| Molecular Formula | C21H18NO4+ |
|---|---|
| Molecular Weight | 348.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1236 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 6872-57-7 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC |
| InChIKey | KKMPSGJPCCJYRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝柄啶 (CAS 6872-57-7), with molecular formula C21H18NO4+ and molecular weight 348.12 g/mol. IUPAC: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium.
Chemical Property Profile of 硝柄啶
Property Insights of 硝柄啶
The XLogP value of 4.6 indicates that Nitidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 硝柄啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitidine has 0 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 Nitidine?
The CAS number of Nitidine is 6872-57-7.
What is the molecular formula of Nitidine?
The molecular formula of Nitidine is C21H18NO4+.
What is the molecular weight of Nitidine?
The molecular weight of Nitidine is 348.12 g/mol.
Where can I buy Nitidine?
You can request a quote for Nitidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitidine?
Yes, KEHONG BIO provides custom synthesis services for Nitidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.