13-Methylberberine
TL;DR: 13-Methylberberine (CAS 54260-72-9) is a chemical compound with molecular formula C21H20NO4+ and molecular weight 350.14 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
Also Known As: 13-Methylberberine, Dehydrothalictricavine, 13-Methyl-thylberberine, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-, 5,6-Dihydro-2,3-(methylenedioxy)-9,10-dimethoxy-13-methyldibenzo[a,g]quinolizinium
| Molecular Formula | C21H20NO4+ |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.13922 |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 54260-72-9 |
|---|---|
| SMILES | CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC5=C(C=C4CC3)OCO5)OC)OC |
| InChIKey | SMERZMDSMLIVHC-UHFFFAOYSA-N |
Product Overview
13-Methylberberine (CAS 54260-72-9), with molecular formula C21H20NO4+ and molecular weight 350.14 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.
Chemical Property Profile of 13-Methylberberine
Property Insights of 13-Methylberberine
The XLogP value of 4.0 indicates that 13-Methylberberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 13-Methylberberine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Methylberberine 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?
The CAS number of 13-Methylberberine is 54260-72-9.
What is the molecular formula of 13-Methylberberine?
The molecular formula of 13-Methylberberine is C21H20NO4+.
What is the molecular weight of 13-Methylberberine?
The molecular weight of 13-Methylberberine is 350.14 g/mol.
Where can I buy 13-Methylberberine?
You can request a quote for 13-Methylberberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Methylberberine?
Yes, KEHONG BIO provides custom synthesis services for 13-Methylberberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.