chelerythrine
TL;DR: chelerythrine (CAS 478-03-5) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 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 hydroxide
Also Known As: chelerythrine, Chelerythrine hydroxide, Toddalin hydroxide, Toddalin, Toddaline hydroxide
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.5398 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 1202.2168 |
Chemical Identifiers
| CAS Number | 478-03-5 |
|---|---|
| SMILES | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-] |
Product Overview
chelerythrine (CAS 478-03-5), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium hydroxide.
Chemical Property Profile of chelerythrine
Property Insights of chelerythrine
The XLogP value of 3.5398 indicates that chelerythrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for chelerythrine. Following Lipinski's Rule of Five, chelerythrine 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?
The CAS number of chelerythrine is 478-03-5.
What is the molecular formula of chelerythrine?
The molecular formula of chelerythrine is C21H19NO5.
What is the molecular weight of chelerythrine?
The molecular weight of chelerythrine is 365.13 g/mol.
Where can I buy chelerythrine?
You can request a quote for chelerythrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chelerythrine?
Yes, KEHONG BIO provides custom synthesis services for chelerythrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.