3-Acetamido-3-(4-nitrophenyl)propanoic acid
TL;DR: 3-Acetamido-3-(4-nitrophenyl)propanoic acid (CAS 100061-23-2) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-3-(4-nitrophenyl)propanoic acid
Also Known As: 3-acetamido-3-(4-nitrophenyl)propanoic acid, 4-(Trifluoromethyl)pyrimidine, 3-(acetylamino)-3-(4-nitrophenyl)propanoic acid, 3-Acetylamino-3-(4-nitrophenyl)propionic acid, ZERO/005093
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.2467 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 452.82684 |
Chemical Identifiers
| CAS Number | 100061-23-2 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-Acetamido-3-(4-nitrophenyl)propanoic acid (CAS 100061-23-2), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 3-acetamido-3-(4-nitrophenyl)propanoic acid.
Chemical Property Profile of 3-Acetamido-3-(4-nitrophenyl)propanoic acid
Property Insights of 3-Acetamido-3-(4-nitrophenyl)propanoic acid
The XLogP value of 1.2467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamido-3-(4-nitrophenyl)propanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetamido-3-(4-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Acetamido-3-(4-nitrophenyl)propanoic acid has 2 hydrogen bond donor(s) and 4 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 3-Acetamido-3-(4-nitrophenyl)propanoic acid?
The CAS number of 3-Acetamido-3-(4-nitrophenyl)propanoic acid is 100061-23-2.
What is the molecular formula of 3-Acetamido-3-(4-nitrophenyl)propanoic acid?
The molecular formula of 3-Acetamido-3-(4-nitrophenyl)propanoic acid is C11H12N2O5.
What is the molecular weight of 3-Acetamido-3-(4-nitrophenyl)propanoic acid?
The molecular weight of 3-Acetamido-3-(4-nitrophenyl)propanoic acid is 252.07 g/mol.
Where can I buy 3-Acetamido-3-(4-nitrophenyl)propanoic acid?
You can request a quote for 3-Acetamido-3-(4-nitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamido-3-(4-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamido-3-(4-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.