![2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate structure](/static/products/545/54527-70-7.png)
2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate
TL;DR: 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate (CAS 54527-70-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methyl-methylamino]ethyl 3-oxobutanoate
Also Known As: 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate, 2-[(4-methoxyphenyl)methyl-methyl-amino]ethyl 3-oxobutanoate, 2-[[(4-Methoxyphenyl)methyl]methylamino]ethyl 3-oxobutanoate, 2-{[(4-Methoxyphenyl)methyl](methyl)amino}ethyl 3-oxobutanoate
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 1.6493 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 441.69165 |
Chemical Identifiers
| CAS Number | 54527-70-7 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCN(C)CC1=CC=C(C=C1)OC |
Product Overview
2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate (CAS 54527-70-7), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 2-[(4-methoxyphenyl)methyl-methylamino]ethyl 3-oxobutanoate.
Chemical Property Profile of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate
Property Insights of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate
The XLogP value of 1.6493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate. With a topological polar surface area (TPSA) of 55.84 Ų, 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate has 0 hydrogen bond donor(s) and 5 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 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate?
The CAS number of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate is 54527-70-7.
What is the molecular formula of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate?
The molecular formula of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate is C15H21NO4.
What is the molecular weight of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate?
The molecular weight of 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate is 279.15 g/mol.
Where can I buy 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate?
You can request a quote for 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(4-methoxybenzyl)-N-methylamino]-ethyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.