N-o-Tolyl-malonamic acid ethyl ester
TL;DR: N-o-Tolyl-malonamic acid ethyl ester (CAS 104330-53-2) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-methylanilino)-3-oxopropanoate
Also Known As: N-o-Tolyl-malonamic acid ethyl ester, ethyl 3-(2-methylanilino)-3-oxopropanoate, ethyl 2-[(2-methylphenyl)carbamoyl]acetate, ethyl 3-(o-toluidino)-3-oxopropanoate, BB 0217189
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.88672 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 387.6052 |
Chemical Identifiers
| CAS Number | 104330-53-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=CC=C1C |
Product Overview
N-o-Tolyl-malonamic acid ethyl ester (CAS 104330-53-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: ethyl 3-(2-methylanilino)-3-oxopropanoate.
Chemical Property Profile of N-o-Tolyl-malonamic acid ethyl ester
Property Insights of N-o-Tolyl-malonamic acid ethyl ester
The XLogP value of 1.88672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-o-Tolyl-malonamic acid ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-o-Tolyl-malonamic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-o-Tolyl-malonamic acid ethyl ester 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 N-o-Tolyl-malonamic acid ethyl ester?
The CAS number of N-o-Tolyl-malonamic acid ethyl ester is 104330-53-2.
What is the molecular formula of N-o-Tolyl-malonamic acid ethyl ester?
The molecular formula of N-o-Tolyl-malonamic acid ethyl ester is C12H15NO3.
What is the molecular weight of N-o-Tolyl-malonamic acid ethyl ester?
The molecular weight of N-o-Tolyl-malonamic acid ethyl ester is 221.11 g/mol.
Where can I buy N-o-Tolyl-malonamic acid ethyl ester?
You can request a quote for N-o-Tolyl-malonamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-o-Tolyl-malonamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-o-Tolyl-malonamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.