RefChem:1061797
TL;DR: RefChem:1061797 (CAS 101491-78-5) is a chemical compound with molecular formula C21H29ClN2O2 and molecular weight 376.19174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,1-diphenylbutylcarbamoyloxy)ethyl-dimethylazanium chloride
Also Known As: VAL 632, 1,1-Diphenylbutylcarbamic acid 2-dimethylaminoethyl ester hydrochloride, 2-(1,1-diphenylbutylcarbamoyloxy)ethyl-dimethylazanium, 2-(1,1-diphenylbutylcarbamoyloxy)ethyl-dimethylazanium chloride, 2-(1,1-diphenylbutylcarbamoyloxy)ethyl-dimethylazanium;chloride
Technical Specifications
| Molecular Formula | C21H29ClN2O2 |
| Molecular Weight | 376.19174 g/mol |
| XLogP | -0.39 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 376.19174 Da |
| Heavy Atoms | 26 |
| Complexity | 367.0 |
| SMILES | CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | ZUAZLBFYMXVODD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1061797
Property Insights of RefChem:1061797
The XLogP value of -0.39 indicates that RefChem:1061797 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1061797 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061797 has 2 hydrogen bond donor(s) and 3 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:1061797?
The CAS number of RefChem:1061797 is 101491-78-5.
What is the molecular formula of RefChem:1061797?
The molecular formula of RefChem:1061797 is C21H29ClN2O2.
What is the molecular weight of RefChem:1061797?
The molecular weight of RefChem:1061797 is 376.19174 g/mol.
Where can I buy RefChem:1061797?
You can request a quote for RefChem:1061797 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1061797?
Yes, CoreyChem provides custom synthesis services for RefChem:1061797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.