Tariquidar Methanesulfonate Hydrate
TL;DR: Tariquidar Methanesulfonate Hydrate (CAS 625375-83-9) is a chemical compound with molecular formula C40H58N4O18S2 and molecular weight 946.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide;methanesulfonic acid;hexahydrate
Also Known As: Tariquidar Methanesulfonate Hydrate, Tariquidar methanesulfonate, hydrate
| Molecular Formula | C40H58N4O18S2 |
|---|---|
| Molecular Weight | 946.32 g/mol |
| LogP | 0.4344 |
| Topological Polar Surface Area | 408.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 946.3187 |
| Heavy Atoms | 64 |
| Complexity | 2427.0823 |
Chemical Identifiers
| CAS Number | 625375-83-9 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O.O.O.O.O.O.O |
Product Overview
Tariquidar Methanesulfonate Hydrate (CAS 625375-83-9), with molecular formula C40H58N4O18S2 and molecular weight 946.32 g/mol. IUPAC: N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide;methanesulfonic acid;hexahydrate.
Chemical Property Profile of Tariquidar Methanesulfonate Hydrate
Property Insights of Tariquidar Methanesulfonate Hydrate
The XLogP value of 0.4344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tariquidar Methanesulfonate Hydrate. The TPSA of 408.99 Ų indicates high polarity, suggesting Tariquidar Methanesulfonate Hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tariquidar Methanesulfonate Hydrate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tariquidar Methanesulfonate Hydrate?
The CAS number of Tariquidar Methanesulfonate Hydrate is 625375-83-9.
What is the molecular formula of Tariquidar Methanesulfonate Hydrate?
The molecular formula of Tariquidar Methanesulfonate Hydrate is C40H58N4O18S2.
What is the molecular weight of Tariquidar Methanesulfonate Hydrate?
The molecular weight of Tariquidar Methanesulfonate Hydrate is 946.32 g/mol.
Where can I buy Tariquidar Methanesulfonate Hydrate?
You can request a quote for Tariquidar Methanesulfonate Hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tariquidar Methanesulfonate Hydrate?
Yes, KEHONG BIO provides custom synthesis services for Tariquidar Methanesulfonate Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.