RefChem:1101057
TL;DR: RefChem:1101057 (CAS 102583-88-0) is a chemical compound with molecular formula C18H32Cl2N2O3 and molecular weight 394.179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-azaniumylbutyl)-2-methoxybenzoyl]oxyethyl-diethylazanium dichloride
Also Known As: WIN 2633, 4-Butylamino-o-anisic acid 2-(diethylamino)ethyl ester dihydrochloride, 2-[4-(4-Azaniumylbutyl)-2-methoxybenzoyl]oxyethyl-diethylazaniumdichloride, 2-[4-(4-azaniumylbutyl)-2-methoxybenzoyl]oxyethyl-diethylazanium, o-ANISIC ACID, 4-BUTYLAMINO-, 2-(DIETHYLAMINO)ETHYL ESTER, DIHYDROCHLORIDE
Technical Specifications
| Molecular Formula | C18H32Cl2N2O3 |
| Molecular Weight | 394.179 g/mol |
| XLogP | -5.65 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 394.179 Da |
| Heavy Atoms | 25 |
| Complexity | 321.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)CCCC[NH3+])OC.[Cl-].[Cl-] |
| InChIKey | NQUAZYHGJMZULQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1101057
Property Insights of RefChem:1101057
The XLogP value of -5.65 indicates that RefChem:1101057 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1101057. Following Lipinski's Rule of Five, RefChem:1101057 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1101057?
The CAS number of RefChem:1101057 is 102583-88-0.
What is the molecular formula of RefChem:1101057?
The molecular formula of RefChem:1101057 is C18H32Cl2N2O3.
What is the molecular weight of RefChem:1101057?
The molecular weight of RefChem:1101057 is 394.179 g/mol.
Where can I buy RefChem:1101057?
You can request a quote for RefChem:1101057 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1101057?
Yes, CoreyChem provides custom synthesis services for RefChem:1101057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.