Ethyl beta-(dimethylamino)benzenebutanoate
TL;DR: Ethyl beta-(dimethylamino)benzenebutanoate (CAS 54966-40-4) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dimethylamino)-4-phenylbutanoate
Also Known As: Ethyl 3-(dimethylamino)-4-phenylbutanoate, Ethyl beta-(dimethylamino)benzenebutanoate, Ethyl I(2)-(dimethylamino)benzenebutanoate, Ethyl 3-(dimethylamino)-4-phenylbutanoate #, beta-(Dimethylamino)benzenebutanoic acid ethyl ester
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 54966-40-4 |
|---|---|
| SMILES | CCOC(=O)CC(CC1=CC=CC=C1)N(C)C |
| InChIKey | OGORUXVWRXHZBH-UHFFFAOYSA-N |
Product Overview
Ethyl beta-(dimethylamino)benzenebutanoate (CAS 54966-40-4), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: ethyl 3-(dimethylamino)-4-phenylbutanoate.
Chemical Property Profile of Ethyl beta-(dimethylamino)benzenebutanoate
Property Insights of Ethyl beta-(dimethylamino)benzenebutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl beta-(dimethylamino)benzenebutanoate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl beta-(dimethylamino)benzenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl beta-(dimethylamino)benzenebutanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl beta-(dimethylamino)benzenebutanoate?
The CAS number of Ethyl beta-(dimethylamino)benzenebutanoate is 54966-40-4.
What is the molecular formula of Ethyl beta-(dimethylamino)benzenebutanoate?
The molecular formula of Ethyl beta-(dimethylamino)benzenebutanoate is C14H21NO2.
What is the molecular weight of Ethyl beta-(dimethylamino)benzenebutanoate?
The molecular weight of Ethyl beta-(dimethylamino)benzenebutanoate is 235.16 g/mol.
Where can I buy Ethyl beta-(dimethylamino)benzenebutanoate?
You can request a quote for Ethyl beta-(dimethylamino)benzenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-(dimethylamino)benzenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-(dimethylamino)benzenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.