Dinitrophenyl-4-aminobenzoylglutamate
TL;DR: Dinitrophenyl-4-aminobenzoylglutamate (CAS 2721-84-8) is a chemical compound with molecular formula C18H16N4O9 and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-(2,4-dinitroanilino)benzoyl]amino]pentanedioic acid
Also Known As: Dinitrophenyl-4-aminobenzoylglutamate, Dinitrophenyl-p-aminobenzoylglutamate, 1,2-Dioxane,3,3,6,6-tetrachloro, N-[4-(2,4-Dinitroanilino)benzoyl]glutamic acid, N-[4-(2,4-Dinitroanilino)benzoyl]-L-glutamic acid
| Molecular Formula | C18H16N4O9 |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.09174 |
| Heavy Atoms | 31 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 2721-84-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZJBJMLQWZNQFFE-AWEZNQCLSA-N |
Product Overview
Dinitrophenyl-4-aminobenzoylglutamate (CAS 2721-84-8), with molecular formula C18H16N4O9 and molecular weight 432.09 g/mol. IUPAC: (2S)-2-[[4-(2,4-dinitroanilino)benzoyl]amino]pentanedioic acid.
Chemical Property Profile of Dinitrophenyl-4-aminobenzoylglutamate
Property Insights of Dinitrophenyl-4-aminobenzoylglutamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrophenyl-4-aminobenzoylglutamate. The TPSA of 207.0 Ų indicates high polarity, suggesting Dinitrophenyl-4-aminobenzoylglutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinitrophenyl-4-aminobenzoylglutamate has 4 hydrogen bond donor(s) and 10 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 Dinitrophenyl-4-aminobenzoylglutamate?
The CAS number of Dinitrophenyl-4-aminobenzoylglutamate is 2721-84-8.
What is the molecular formula of Dinitrophenyl-4-aminobenzoylglutamate?
The molecular formula of Dinitrophenyl-4-aminobenzoylglutamate is C18H16N4O9.
What is the molecular weight of Dinitrophenyl-4-aminobenzoylglutamate?
The molecular weight of Dinitrophenyl-4-aminobenzoylglutamate is 432.09 g/mol.
Where can I buy Dinitrophenyl-4-aminobenzoylglutamate?
You can request a quote for Dinitrophenyl-4-aminobenzoylglutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrophenyl-4-aminobenzoylglutamate?
Yes, KEHONG BIO provides custom synthesis services for Dinitrophenyl-4-aminobenzoylglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.