13-Methylberberine iodide
TL;DR: 13-Methylberberine iodide (CAS 2220-12-4) is a chemical compound with molecular formula C21H20INO4 and molecular weight 477.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene iodide
Also Known As: 13-Methylberberine iodide, Dehydrothalictricavine iodide, 13-Methylberberinium iodide, Berberine, 13-methyl-, iodide, 5,6-Dihydro-9,10-dimethoxy-13-methylbenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium iodide
| Molecular Formula | C21H20INO4 |
|---|---|
| Molecular Weight | 477.04 g/mol |
| LogP | 0.40872 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.0437 |
| Heavy Atoms | 27 |
| Complexity | 1064.2114 |
Chemical Identifiers
| CAS Number | 2220-12-4 |
|---|---|
| SMILES | CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC.[I-] |
Product Overview
13-Methylberberine iodide (CAS 2220-12-4), with molecular formula C21H20INO4 and molecular weight 477.04 g/mol. IUPAC: 16,17-dimethoxy-21-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene iodide.
Chemical Property Profile of 13-Methylberberine iodide
Property Insights of 13-Methylberberine iodide
The XLogP value of 0.40872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Methylberberine iodide. With a topological polar surface area (TPSA) of 40.8 Ų, 13-Methylberberine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Methylberberine iodide 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 13-Methylberberine iodide?
The CAS number of 13-Methylberberine iodide is 2220-12-4.
What is the molecular formula of 13-Methylberberine iodide?
The molecular formula of 13-Methylberberine iodide is C21H20INO4.
What is the molecular weight of 13-Methylberberine iodide?
The molecular weight of 13-Methylberberine iodide is 477.04 g/mol.
Where can I buy 13-Methylberberine iodide?
You can request a quote for 13-Methylberberine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Methylberberine iodide?
Yes, KEHONG BIO provides custom synthesis services for 13-Methylberberine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.