4-Ethyl-3-nitrobenzoic acid
TL;DR: 4-Ethyl-3-nitrobenzoic acid (CAS 103440-95-5) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-nitrobenzoic acid
Also Known As: 4-ethyl-3-nitrobenzoic acid, 4-ethyl-3-nitro-benzoic acid, 3-Nitro-4-ethylbenzoic acid, Benzoic acid,4-ethyl-3-nitro-, 4-ethyl-3-nitrobenzoicacid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.8554 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 386.39838 |
Chemical Identifiers
| CAS Number | 103440-95-5 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
4-Ethyl-3-nitrobenzoic acid (CAS 103440-95-5), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 4-ethyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-Ethyl-3-nitrobenzoic acid
Property Insights of 4-Ethyl-3-nitrobenzoic acid
The XLogP value of 1.8554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Ethyl-3-nitrobenzoic 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 4-Ethyl-3-nitrobenzoic acid?
The CAS number of 4-Ethyl-3-nitrobenzoic acid is 103440-95-5.
What is the molecular formula of 4-Ethyl-3-nitrobenzoic acid?
The molecular formula of 4-Ethyl-3-nitrobenzoic acid is C9H9NO4.
What is the molecular weight of 4-Ethyl-3-nitrobenzoic acid?
The molecular weight of 4-Ethyl-3-nitrobenzoic acid is 195.05 g/mol.
Where can I buy 4-Ethyl-3-nitrobenzoic acid?
You can request a quote for 4-Ethyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.