Chelerythrine, chloride
TL;DR: Chelerythrine, chloride (CAS 3895-92-9) is a chemical compound with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
Also Known As: Chelerythrine chloride, chelerythrine, Toddalin, Chelerythrinechloride, Chelerythrine HCl
| Molecular Formula | C21H18ClNO4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.09244 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 3895-92-9 |
|---|---|
| SMILES | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-] |
| InChIKey | WEEFNMFMNMASJY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chelerythrine, chloride (CAS 3895-92-9), with molecular formula C21H18ClNO4 and molecular weight 383.09 g/mol. IUPAC: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride.
Chemical Property Profile of Chelerythrine, chloride
Property Insights of Chelerythrine, chloride
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chelerythrine, chloride. With a topological polar surface area (TPSA) of 40.8 Ų, Chelerythrine, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chelerythrine, chloride has 0 hydrogen bond donor(s) and 5 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 Chelerythrine, chloride?
The CAS number of Chelerythrine, chloride is 3895-92-9.
What is the molecular formula of Chelerythrine, chloride?
The molecular formula of Chelerythrine, chloride is C21H18ClNO4.
What is the molecular weight of Chelerythrine, chloride?
The molecular weight of Chelerythrine, chloride is 383.09 g/mol.
Where can I buy Chelerythrine, chloride?
You can request a quote for Chelerythrine, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chelerythrine, chloride?
Yes, KEHONG BIO provides custom synthesis services for Chelerythrine, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.