3-(Methyl(phenyl)amino)-3-oxopropanoic acid
TL;DR: 3-(Methyl(phenyl)amino)-3-oxopropanoic acid (CAS 60657-74-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-methylanilino)-3-oxopropanoic acid
Also Known As: 3-(N-methylanilino)-3-oxopropanoic acid, 3-(Methyl(phenyl)amino)-3-oxopropanoic acid, Propanoicacid, 3-(methylphenylamino)-3-oxo-, 3-(methyl(phenyl)amino)-3-oxopropanoic aci, 3-[Methyl(phenyl)amino]-3-oxopropanoic acid
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 60657-74-1 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CC(=O)O |
| InChIKey | ONIBPEAZDCFYJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methyl(phenyl)amino)-3-oxopropanoic acid (CAS 60657-74-1), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3-(N-methylanilino)-3-oxopropanoic acid.
Chemical Property Profile of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid
Property Insights of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methyl(phenyl)amino)-3-oxopropanoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 3-(Methyl(phenyl)amino)-3-oxopropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methyl(phenyl)amino)-3-oxopropanoic acid 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
Frequently Asked Questions
What is the CAS number of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid?
The CAS number of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid is 60657-74-1.
What is the molecular formula of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid?
The molecular formula of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid is C10H11NO3.
What is the molecular weight of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid?
The molecular weight of 3-(Methyl(phenyl)amino)-3-oxopropanoic acid is 193.07 g/mol.
Where can I buy 3-(Methyl(phenyl)amino)-3-oxopropanoic acid?
You can request a quote for 3-(Methyl(phenyl)amino)-3-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methyl(phenyl)amino)-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methyl(phenyl)amino)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.