![Methyl 4-[(2,4-dinitrophenyl)amino]benzoate structure](/static/products/6227/62276-02-2.webp)
Methyl 4-[(2,4-dinitrophenyl)amino]benzoate
TL;DR: Methyl 4-[(2,4-dinitrophenyl)amino]benzoate (CAS 62276-02-2) is a chemical compound with molecular formula C14H11N3O6 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,4-dinitroanilino)benzoate
Also Known As: methyl 4-(2,4-dinitroanilino)benzoate, Methyl 4-[(2,4-dinitrophenyl)amino]benzoate, Benzoic acid, 4-[(2,4-dinitrophenyl)amino]-, methyl ester
| Molecular Formula | C14H11N3O6 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 3.0332 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0648 |
| Heavy Atoms | 23 |
| Complexity | 772.5821 |
Chemical Identifiers
| CAS Number | 62276-02-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 4-[(2,4-dinitrophenyl)amino]benzoate (CAS 62276-02-2), with molecular formula C14H11N3O6 and molecular weight 317.06 g/mol. IUPAC: methyl 4-(2,4-dinitroanilino)benzoate.
Chemical Property Profile of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate
Property Insights of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate
The XLogP value of 3.0332 indicates that Methyl 4-[(2,4-dinitrophenyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2,4-dinitrophenyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(2,4-dinitrophenyl)amino]benzoate 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 4-[(2,4-dinitrophenyl)amino]benzoate?
The CAS number of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate is 62276-02-2.
What is the molecular formula of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate?
The molecular formula of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate is C14H11N3O6.
What is the molecular weight of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate?
The molecular weight of Methyl 4-[(2,4-dinitrophenyl)amino]benzoate is 317.06 g/mol.
Where can I buy Methyl 4-[(2,4-dinitrophenyl)amino]benzoate?
You can request a quote for Methyl 4-[(2,4-dinitrophenyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2,4-dinitrophenyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2,4-dinitrophenyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.