Dimethyl l-curine dimethochloride
TL;DR: Dimethyl l-curine dimethochloride (CAS 76786-17-9) is a chemical compound with molecular formula C40H48Cl2N2O6 and molecular weight 722.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene dichloride
Also Known As: Dimethyl l-curine dimethochloride, Dimethyltubocurarinium chloride, Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, dichloride, (1-beta)-, (1-beta)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium dichloride, RefChem:1100590
| Molecular Formula | C40H48Cl2N2O6 |
|---|---|
| Molecular Weight | 722.29 g/mol |
| LogP | 1.4596 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 722.28894 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 76786-17-9 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[Cl-].[Cl-] |
| InChIKey | IRPSJVWFSWAZSZ-YIECZYFASA-L |
Product Overview
Dimethyl l-curine dimethochloride (CAS 76786-17-9), with molecular formula C40H48Cl2N2O6 and molecular weight 722.29 g/mol. IUPAC: (1R,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene dichloride.
Chemical Property Profile of Dimethyl l-curine dimethochloride
Property Insights of Dimethyl l-curine dimethochloride
The XLogP value of 1.4596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl l-curine dimethochloride. With a topological polar surface area (TPSA) of 55.4 Ų, Dimethyl l-curine dimethochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl l-curine dimethochloride has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl l-curine dimethochloride?
The CAS number of Dimethyl l-curine dimethochloride is 76786-17-9.
What is the molecular formula of Dimethyl l-curine dimethochloride?
The molecular formula of Dimethyl l-curine dimethochloride is C40H48Cl2N2O6.
What is the molecular weight of Dimethyl l-curine dimethochloride?
The molecular weight of Dimethyl l-curine dimethochloride is 722.29 g/mol.
Where can I buy Dimethyl l-curine dimethochloride?
You can request a quote for Dimethyl l-curine dimethochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl l-curine dimethochloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl l-curine dimethochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.