12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium
TL;DR: 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium (CAS 55098-33-4) is a chemical compound with molecular formula C39H46N2O6+2 and molecular weight 638.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20,21,25-trimethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
Also Known As: N-Dimethylberbamine, BERBAMINE, N-DIMETHYL-, 12-hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium
| Molecular Formula | C39H46N2O6+2 |
|---|---|
| Molecular Weight | 638.34 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 638.3356 |
| Heavy Atoms | 47 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 55098-33-4 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)OC)O)OC)C |
| InChIKey | WQUPABGTFRZPBH-UHFFFAOYSA-O |
Product Overview
12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium (CAS 55098-33-4), with molecular formula C39H46N2O6+2 and molecular weight 638.34 g/mol. IUPAC: 20,21,25-trimethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol.
Chemical Property Profile of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium
Property Insights of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium
The XLogP value of 6.4 indicates that 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium. Following Lipinski's Rule of Five, 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium?
The CAS number of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium is 55098-33-4.
What is the molecular formula of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium?
The molecular formula of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium is C39H46N2O6+2.
What is the molecular weight of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium?
The molecular weight of 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium is 638.34 g/mol.
Where can I buy 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium?
You can request a quote for 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium?
Yes, KEHONG BIO provides custom synthesis services for 12-Hydroxy-6,6',7-trimethoxy-2,2,2',2'-tetramethylberbaman-2,2'-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.