Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate
TL;DR: Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate (CAS 72010-74-3) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(diethylamino)anilino]-4-oxobutanoate
Also Known As: EINECS 276-283-1, Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate, methyl 4-[3-(diethylamino)anilino]-4-oxobutanoate, methyl4-[[3- phenyl]amino]-4-oxobutyrate, METHYL 4-[[3-(DIETHYLAMINO)PHENYL]AMINO]-4-OXOBUTYRATE
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.4245 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 456.18677 |
Chemical Identifiers
| CAS Number | 72010-74-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC(=C1)NC(=O)CCC(=O)OC |
Product Overview
Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate (CAS 72010-74-3), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: methyl 4-[3-(diethylamino)anilino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate
Property Insights of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate
The XLogP value of 2.4245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate has 1 hydrogen bond donor(s) and 4 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 Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate?
The CAS number of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate is 72010-74-3.
What is the molecular formula of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate?
The molecular formula of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate is C15H22N2O3.
What is the molecular weight of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate?
The molecular weight of Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate is 278.16 g/mol.
Where can I buy Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate?
You can request a quote for Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((3-(diethylamino)phenyl)amino)-4-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.