白屈菜红碱
TL;DR: 白屈菜红碱 (CAS 34316-15-9) 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.
白屈菜红碱
1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Also Known As: chelerythrine, Toddalin, cheleritrine, Toddaline, broussonpapyrine
| 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 | 34316-15-9 |
|---|---|
| SMILES | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5 |
| InChIKey | LLEJIEBFSOEYIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白屈菜红碱 (CAS 34316-15-9), with molecular formula C21H18NO4+ and molecular weight 348.12 g/mol. IUPAC: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium.
Chemical Property Profile of 白屈菜红碱
Property Insights of 白屈菜红碱
The XLogP value of 4.6 indicates that 白屈菜红碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 白屈菜红碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 白屈菜红碱 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 白屈菜红碱?
The CAS number of 白屈菜红碱 is 34316-15-9.
What is the molecular formula of 白屈菜红碱?
The molecular formula of 白屈菜红碱 is C21H18NO4+.
What is the molecular weight of 白屈菜红碱?
The molecular weight of 白屈菜红碱 is 348.12 g/mol.
Where can I buy 白屈菜红碱?
You can request a quote for 白屈菜红碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白屈菜红碱?
Yes, KEHONG BIO provides custom synthesis services for 白屈菜红碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.