RefChem:1078311
TL;DR: RefChem:1078311 (CAS 63867-14-1) is a chemical compound with molecular formula C21H28ClNO2 and molecular weight 361.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-ethoxy-2-methyl-4-oxo-3,3-diphenylbutyl)-dimethylazanium chloride
Also Known As: Butyric acid, 3-(N,N-dimethylamino)methyl-2,2-diphenyl-, ethyl ester, hydrochloride, 4-Dimethylamino-2,2-diphenyl-3-methyl butanoate, ethyl ester, hydrochloride, (4-ethoxy-2-methyl-4-oxo-3,3-diphenylbutyl)-dimethylazanium chloride, Benzeneacetic acid, .alpha.-[2-(dimethylamino)-1-methylethyl]-.alpha.-phenyl-, ethyl ester, hydrochloride, Benzeneacetic acid, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, ethyl ester, hydrochloride
Technical Specifications
| Molecular Formula | C21H28ClNO2 |
| Molecular Weight | 361.18085 g/mol |
| XLogP | -0.68 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.18085 Da |
| Heavy Atoms | 25 |
| Complexity | 363.0 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)C[NH+](C)C.[Cl-] |
| InChIKey | AEFKGCXZPXLJKP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1078311
Property Insights of RefChem:1078311
The XLogP value of -0.68 indicates that RefChem:1078311 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1078311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078311 has 1 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:1078311?
The CAS number of RefChem:1078311 is 63867-14-1.
What is the molecular formula of RefChem:1078311?
The molecular formula of RefChem:1078311 is C21H28ClNO2.
What is the molecular weight of RefChem:1078311?
The molecular weight of RefChem:1078311 is 361.18085 g/mol.
Where can I buy RefChem:1078311?
You can request a quote for RefChem:1078311 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1078311?
Yes, CoreyChem provides custom synthesis services for RefChem:1078311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.