3-methyl-2-(4-nitrophenyl)butanoic Acid
TL;DR: 3-methyl-2-(4-nitrophenyl)butanoic Acid (CAS 80607-80-3) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(4-nitrophenyl)butanoic acid
Also Known As: 3-methyl-2-(4-nitrophenyl)butanoic Acid, 2-(4-nitrophenyl)-3-methylbutanoic acid, Benzeneacetic acid,, A-(1-methylethyl)-4-nitro-, 3-Methyl-2-(4-nitrophenyl)butanoic Acid2-(4-nitrophenyl)butanoic Acid
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 2.419 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 396.95053 |
Chemical Identifiers
| CAS Number | 80607-80-3 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
Product Overview
3-methyl-2-(4-nitrophenyl)butanoic Acid (CAS 80607-80-3), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 3-methyl-2-(4-nitrophenyl)butanoic acid.
Chemical Property Profile of 3-methyl-2-(4-nitrophenyl)butanoic Acid
Property Insights of 3-methyl-2-(4-nitrophenyl)butanoic Acid
The XLogP value of 2.419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(4-nitrophenyl)butanoic Acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-(4-nitrophenyl)butanoic Acid. Following Lipinski's Rule of Five, 3-methyl-2-(4-nitrophenyl)butanoic Acid has 1 hydrogen bond donor(s) and 3 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-methyl-2-(4-nitrophenyl)butanoic Acid?
The CAS number of 3-methyl-2-(4-nitrophenyl)butanoic Acid is 80607-80-3.
What is the molecular formula of 3-methyl-2-(4-nitrophenyl)butanoic Acid?
The molecular formula of 3-methyl-2-(4-nitrophenyl)butanoic Acid is C11H13NO4.
What is the molecular weight of 3-methyl-2-(4-nitrophenyl)butanoic Acid?
The molecular weight of 3-methyl-2-(4-nitrophenyl)butanoic Acid is 223.08 g/mol.
Where can I buy 3-methyl-2-(4-nitrophenyl)butanoic Acid?
You can request a quote for 3-methyl-2-(4-nitrophenyl)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2-(4-nitrophenyl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(4-nitrophenyl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.