Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide
TL;DR: Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide (CAS 61646-17-1) is a chemical compound with molecular formula C39H46I2N2O6 and molecular weight 892.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,14S)-20,21,25-trimethoxy-15,15,30,30-tetramethyl-8,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol diiodide
Also Known As: N-Methyloxyacanthine diiodide, Oxyacanthine dimethiodide, Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide, 12'-Hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-oxyacanthanium diodide, RefChem:1094088
| Molecular Formula | C39H46I2N2O6 |
|---|---|
| Molecular Weight | 892.14 g/mol |
| LogP | 1.1566 |
| Topological Polar Surface Area | 66.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 892.14453 |
| Heavy Atoms | 49 |
| Complexity | 1842.9332 |
Chemical Identifiers
| CAS Number | 61646-17-1 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C=C7CC[N+]6(C)C)OC)O3)O)OC)OC)C.[I-].[I-] |
Product Overview
Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide (CAS 61646-17-1), with molecular formula C39H46I2N2O6 and molecular weight 892.14 g/mol. IUPAC: (1S,14S)-20,21,25-trimethoxy-15,15,30,30-tetramethyl-8,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol diiodide.
Chemical Property Profile of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide
Property Insights of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide
The XLogP value of 1.1566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide. The TPSA of 66.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide. Following Lipinski's Rule of Five, Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide 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 Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide?
The CAS number of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide is 61646-17-1.
What is the molecular formula of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide?
The molecular formula of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide is C39H46I2N2O6.
What is the molecular weight of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide?
The molecular weight of Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide is 892.14 g/mol.
Where can I buy Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide?
You can request a quote for Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide?
Yes, KEHONG BIO provides custom synthesis services for Oxyacanthanium, 12'-hydroxy-2,2,2',2'-tetramethyl-6,6',7-trimethoxy-, diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.