4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate
TL;DR: 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate (CAS 53990-51-5) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] acetate
Also Known As: Propoxyphene Related Compound B, 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate, [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] acetate, alpha-[2-(Dimethylamino)-1-methylethyl]-alpha-phenyl-Benzeneethanol 1-Acetate, ?-[2-(Dimethylamino)-1-methylethyl]-?-phenyl-benzeneethanol 1-acetate
Technical Specifications
| Molecular Formula | C21H27NO2 |
| Molecular Weight | 325.2042 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.2042 Da |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
| SMILES | CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C |
| InChIKey | WPOZMXNNOJHTDY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate
Property Insights of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate
The XLogP value of 3.7 indicates that 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate has 0 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 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate?
The CAS number of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate is 53990-51-5.
What is the molecular formula of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate?
The molecular formula of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate is C21H27NO2.
What is the molecular weight of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate?
The molecular weight of 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate is 325.2042 g/mol.
Where can I buy 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate?
You can request a quote for 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.