N-Phenyl-malonamic acid methyl ester
TL;DR: N-Phenyl-malonamic acid methyl ester (CAS 76311-94-9) 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.
methyl 3-anilino-3-oxopropanoate
Also Known As: methyl 2-phenylcarbamoylacetate, Methyl 3-anilino-3-oxopropanoate, N-Phenyl-malonamic acid methyl ester, Methyl 2-(N-phenylaminocarbonyl)acetate, Methyl 3-anilino-3-oxopropanoate #
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 76311-94-9 |
|---|---|
| SMILES | COC(=O)CC(=O)NC1=CC=CC=C1 |
| InChIKey | LUOGXXYHNOUSGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Phenyl-malonamic acid methyl ester (CAS 76311-94-9), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: methyl 3-anilino-3-oxopropanoate.
Chemical Property Profile of N-Phenyl-malonamic acid methyl ester
Property Insights of N-Phenyl-malonamic acid methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenyl-malonamic acid methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-Phenyl-malonamic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenyl-malonamic acid methyl 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-Phenyl-malonamic acid methyl ester?
The CAS number of N-Phenyl-malonamic acid methyl ester is 76311-94-9.
What is the molecular formula of N-Phenyl-malonamic acid methyl ester?
The molecular formula of N-Phenyl-malonamic acid methyl ester is C10H11NO3.
What is the molecular weight of N-Phenyl-malonamic acid methyl ester?
The molecular weight of N-Phenyl-malonamic acid methyl ester is 193.07 g/mol.
Where can I buy N-Phenyl-malonamic acid methyl ester?
You can request a quote for N-Phenyl-malonamic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenyl-malonamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Phenyl-malonamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.