4-(4-Chlorophenoxy)-3-nitrobenzoic acid
TL;DR: 4-(4-Chlorophenoxy)-3-nitrobenzoic acid (CAS 257616-46-9) is a chemical compound with molecular formula C13H8ClNO5 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenoxy)-3-nitrobenzoic acid
Also Known As: 4-(4-chlorophenoxy)-3-nitrobenzoic acid, 4- -3-NITROBENZOICACID, Dichloro(2-propoxy)oxovanadium(v), 4-(4-chlorophenoxy)-3-nitro-benzoic Acid
| Molecular Formula | C13H8ClNO5 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 3.7387 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0091 |
| Heavy Atoms | 20 |
| Complexity | 668.9618 |
Chemical Identifiers
| CAS Number | 257616-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
4-(4-Chlorophenoxy)-3-nitrobenzoic acid (CAS 257616-46-9), with molecular formula C13H8ClNO5 and molecular weight 293.01 g/mol. IUPAC: 4-(4-chlorophenoxy)-3-nitrobenzoic acid.
Chemical Property Profile of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid
Property Insights of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid
The XLogP value of 3.7387 indicates that 4-(4-Chlorophenoxy)-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenoxy)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-3-nitrobenzoic acid has 1 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 4-(4-Chlorophenoxy)-3-nitrobenzoic acid?
The CAS number of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid is 257616-46-9.
What is the molecular formula of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid?
The molecular formula of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid is C13H8ClNO5.
What is the molecular weight of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid?
The molecular weight of 4-(4-Chlorophenoxy)-3-nitrobenzoic acid is 293.01 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-3-nitrobenzoic acid?
You can request a quote for 4-(4-Chlorophenoxy)-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-(4-Chlorophenoxy)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenoxy)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.