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Methyl 2-[(2,4-dinitrophenyl)amino]propanoate
TL;DR: Methyl 2-[(2,4-dinitrophenyl)amino]propanoate (CAS 10420-63-0) is a chemical compound with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitroanilino)propanoate
Also Known As: Dnp-Ala-OMe, N-(2,4-Dinitrophenyl)-L-alanine methyl ester, methyl N-(2,4-dinitrophenyl)alaninate, Methyl 2-(2,4-dinitroanilino)propanoate, methyl 2-[(2,4-dinitrophenyl)amino]propanoate
| Molecular Formula | C10H11N3O6 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0648 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 10420-63-0 |
|---|---|
| SMILES | CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RXDDNUKGTCKLDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(2,4-dinitrophenyl)amino]propanoate (CAS 10420-63-0), with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol. IUPAC: methyl 2-(2,4-dinitroanilino)propanoate.
Chemical Property Profile of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate
Property Insights of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2,4-dinitrophenyl)amino]propanoate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2,4-dinitrophenyl)amino]propanoate. Following Lipinski's Rule of Five, Methyl 2-[(2,4-dinitrophenyl)amino]propanoate has 1 hydrogen bond donor(s) and 7 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 2-[(2,4-dinitrophenyl)amino]propanoate?
The CAS number of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate is 10420-63-0.
What is the molecular formula of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate?
The molecular formula of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate is C10H11N3O6.
What is the molecular weight of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate?
The molecular weight of Methyl 2-[(2,4-dinitrophenyl)amino]propanoate is 269.06 g/mol.
Where can I buy Methyl 2-[(2,4-dinitrophenyl)amino]propanoate?
You can request a quote for Methyl 2-[(2,4-dinitrophenyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,4-dinitrophenyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,4-dinitrophenyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.