N-methyltetrahydroberberine
TL;DR: N-methyltetrahydroberberine (CAS 37791-14-3) is a chemical compound with molecular formula C21H24NO4+ and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Also Known As: N-Methylcanadine, N-Methyl canadine, Canadine methchloride, Protoberberine alkaloid, dimethoxy(methyl)[?]
| Molecular Formula | C21H24NO4+ |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.17053 |
| Heavy Atoms | 26 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 37791-14-3 |
|---|---|
| SMILES | C[N+]12CCC3=CC4=C(C=C3C1CC5=C(C2)C(=C(C=C5)OC)OC)OCO4 |
| InChIKey | IPABSWBNWMXCHM-UHFFFAOYSA-N |
Product Overview
N-methyltetrahydroberberine (CAS 37791-14-3), with molecular formula C21H24NO4+ and molecular weight 354.17 g/mol. IUPAC: 16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene.
Chemical Property Profile of N-methyltetrahydroberberine
Property Insights of N-methyltetrahydroberberine
The XLogP value of 3.1 indicates that N-methyltetrahydroberberine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, N-methyltetrahydroberberine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyltetrahydroberberine 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 N-methyltetrahydroberberine?
The CAS number of N-methyltetrahydroberberine is 37791-14-3.
What is the molecular formula of N-methyltetrahydroberberine?
The molecular formula of N-methyltetrahydroberberine is C21H24NO4+.
What is the molecular weight of N-methyltetrahydroberberine?
The molecular weight of N-methyltetrahydroberberine is 354.17 g/mol.
Where can I buy N-methyltetrahydroberberine?
You can request a quote for N-methyltetrahydroberberine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyltetrahydroberberine?
Yes, KEHONG BIO provides custom synthesis services for N-methyltetrahydroberberine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.