3-(4-nitrophenyl)butanoic Acid
TL;DR: 3-(4-nitrophenyl)butanoic Acid (CAS 6555-33-5) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)butanoic acid
Also Known As: 3-(4-nitrophenyl)butanoic Acid, Benzenepropanoic acid, beta-methyl-4-nitro-, J3.696.740D
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.173 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 371.5137 |
Chemical Identifiers
| CAS Number | 6555-33-5 |
|---|---|
| SMILES | CC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)butanoic Acid (CAS 6555-33-5), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 3-(4-nitrophenyl)butanoic acid.
Chemical Property Profile of 3-(4-nitrophenyl)butanoic Acid
Property Insights of 3-(4-nitrophenyl)butanoic Acid
The XLogP value of 2.173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)butanoic Acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)butanoic Acid. Following Lipinski's Rule of Five, 3-(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-(4-nitrophenyl)butanoic Acid?
The CAS number of 3-(4-nitrophenyl)butanoic Acid is 6555-33-5.
What is the molecular formula of 3-(4-nitrophenyl)butanoic Acid?
The molecular formula of 3-(4-nitrophenyl)butanoic Acid is C10H11NO4.
What is the molecular weight of 3-(4-nitrophenyl)butanoic Acid?
The molecular weight of 3-(4-nitrophenyl)butanoic Acid is 209.07 g/mol.
Where can I buy 3-(4-nitrophenyl)butanoic Acid?
You can request a quote for 3-(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-(4-nitrophenyl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.