![4-Nitrophenylalanine amide, N-[2-aminoethyl]- structure](/static/products/968/96813-44-4.png)
4-Nitrophenylalanine amide, N-[2-aminoethyl]-
TL;DR: 4-Nitrophenylalanine amide, N-[2-aminoethyl]- (CAS 96813-44-4) is a chemical compound with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
Also Known As: 4-Nitrophenylalanine amide, N-[2-aminoethyl]-, 2-Amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide, 2-(4-nitrobenzyl)-3-oxo-1,4,7-triazaheptane, 2-(p-nitrobenzyl)-3-monooxo-1,4,7-triazaheptane, 2-Amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide #
| Molecular Formula | C11H16N4O3 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.12224 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 96813-44-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)NCCN)N)[N+](=O)[O-] |
| InChIKey | PLXVCVKECHOALJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenylalanine amide, N-[2-aminoethyl]- (CAS 96813-44-4), with molecular formula C11H16N4O3 and molecular weight 252.12 g/mol. IUPAC: 2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide.
Chemical Property Profile of 4-Nitrophenylalanine amide, N-[2-aminoethyl]-
Property Insights of 4-Nitrophenylalanine amide, N-[2-aminoethyl]-
The XLogP value of -0.2 indicates that 4-Nitrophenylalanine amide, N-[2-aminoethyl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenylalanine amide, N-[2-aminoethyl]-. Following Lipinski's Rule of Five, 4-Nitrophenylalanine amide, N-[2-aminoethyl]- has 3 hydrogen bond donor(s) and 5 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 4-Nitrophenylalanine amide, N-[2-aminoethyl]-?
The CAS number of 4-Nitrophenylalanine amide, N-[2-aminoethyl]- is 96813-44-4.
What is the molecular formula of 4-Nitrophenylalanine amide, N-[2-aminoethyl]-?
The molecular formula of 4-Nitrophenylalanine amide, N-[2-aminoethyl]- is C11H16N4O3.
What is the molecular weight of 4-Nitrophenylalanine amide, N-[2-aminoethyl]-?
The molecular weight of 4-Nitrophenylalanine amide, N-[2-aminoethyl]- is 252.12 g/mol.
Where can I buy 4-Nitrophenylalanine amide, N-[2-aminoethyl]-?
You can request a quote for 4-Nitrophenylalanine amide, N-[2-aminoethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenylalanine amide, N-[2-aminoethyl]-?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenylalanine amide, N-[2-aminoethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.