光叶花椒碱
TL;DR: 光叶花椒碱 (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.
光叶花椒碱
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
光叶花椒碱 (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 光叶花椒碱
Property Insights of 光叶花椒碱
The XLogP value of 4.6 indicates that 光叶花椒碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 光叶花椒碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 光叶花椒碱 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 光叶花椒碱?
The CAS number of 光叶花椒碱 is 6872-57-7.
What is the molecular formula of 光叶花椒碱?
The molecular formula of 光叶花椒碱 is C21H18NO4+.
What is the molecular weight of 光叶花椒碱?
The molecular weight of 光叶花椒碱 is 348.12 g/mol.
Where can I buy 光叶花椒碱?
You can request a quote for 光叶花椒碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 光叶花椒碱?
Yes, KEHONG BIO provides custom synthesis services for 光叶花椒碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.