4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid
TL;DR: 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid (CAS 731003-79-5) is a chemical compound with molecular formula C14H10ClNO6 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
Also Known As: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid, 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoicacid, 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic Acid
| Molecular Formula | C14H10ClNO6 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 3.7473 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.01965 |
| Heavy Atoms | 22 |
| Complexity | 746.1081 |
Chemical Identifiers
| CAS Number | 731003-79-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid (CAS 731003-79-5), with molecular formula C14H10ClNO6 and molecular weight 323.02 g/mol. IUPAC: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid.
Chemical Property Profile of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid
Property Insights of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid
The XLogP value of 3.7473 indicates that 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid has 1 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 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid?
The CAS number of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid is 731003-79-5.
What is the molecular formula of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid?
The molecular formula of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid is C14H10ClNO6.
What is the molecular weight of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid?
The molecular weight of 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid is 323.02 g/mol.
Where can I buy 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid?
You can request a quote for 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic 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-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-2-nitrophenoxy)-3-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.