C20H22N2OS.1/2C2H2O4
TL;DR: C20H22N2OS.1/2C2H2O4 (CAS 131028-66-5) is a chemical compound with molecular formula C42H46N4O6S2 and molecular weight 766.2859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-(2-benzhydryloxyethylsulfanylmethyl)-5-methyl-1H-imidazole);oxalic acid
Also Known As: C20H22N2OS.1/2C2H2O4, 1H-Imidazole, 4-(((2-(diphenylmethoxy)ethyl)thio)methyl)-5-methyl-, ethanedioate (2:1), 4-(((2-(Diphenylmethoxy)ethyl)thio)methyl)-5-methyl-1H-imidazole ethanedioate (2:1), C20-H22-N2-O-S.1/2C2-H2-O4, (4-{[2-(Dimethylamino)ethyl]oxy}phenyl)methanol
Technical Specifications
| Molecular Formula | C42H46N4O6S2 |
| Molecular Weight | 766.2859 g/mol |
| XLogP | 8.67064 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 766.2859 Da |
| Heavy Atoms | 54 |
| Complexity | 396.0 |
| SMILES | CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(N=CN1)CSCCOC(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | QEOIRDJDDIAFBR-UHFFFAOYSA-N |
Chemical Property Profile of C20H22N2OS.1/2C2H2O4
Property Insights of C20H22N2OS.1/2C2H2O4
The XLogP value of 8.67064 indicates that C20H22N2OS.1/2C2H2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting C20H22N2OS.1/2C2H2O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H22N2OS.1/2C2H2O4 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C20H22N2OS.1/2C2H2O4?
The CAS number of C20H22N2OS.1/2C2H2O4 is 131028-66-5.
What is the molecular formula of C20H22N2OS.1/2C2H2O4?
The molecular formula of C20H22N2OS.1/2C2H2O4 is C42H46N4O6S2.
What is the molecular weight of C20H22N2OS.1/2C2H2O4?
The molecular weight of C20H22N2OS.1/2C2H2O4 is 766.2859 g/mol.
Where can I buy C20H22N2OS.1/2C2H2O4?
You can request a quote for C20H22N2OS.1/2C2H2O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H22N2OS.1/2C2H2O4?
Yes, CoreyChem provides custom synthesis services for C20H22N2OS.1/2C2H2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.