3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid
TL;DR: 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid (CAS 33214-73-2) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid
Also Known As: 3-{4-(acetylamino)-3-nitrophenyl}-3-methylbutanoic acid, 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid, AE-562/43460618, 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 33214-73-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(C)(C)CC(=O)O)[N+](=O)[O-] |
| InChIKey | NQZPOLRJLCSBSF-UHFFFAOYSA-N |
Product Overview
3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid (CAS 33214-73-2), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid.
Chemical Property Profile of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid
Property Insights of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid. Following Lipinski's Rule of Five, 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid has 2 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 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid?
The CAS number of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid is 33214-73-2.
What is the molecular formula of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid?
The molecular formula of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid is C13H16N2O5.
What is the molecular weight of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid?
The molecular weight of 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid is 280.11 g/mol.
Where can I buy 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid?
You can request a quote for 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-(Acetylamino)-3-nitrophenyl}-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.