![3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid structure](/static/products/4288/428843-08-7.webp)
3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid
TL;DR: 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid (CAS 428843-08-7) is a chemical compound with molecular formula C17H15ClO5 and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid
Also Known As: 3-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid, 3-((2-Chloro-6-ethoxy-4-formylphenoxy)methyl)benzoic acid, 3-[(2-chloro-6-ethoxy-4-formyl-phenoxy)methyl]benzoic Acid, 3-(2-CHLORO-6-ETHOXY-4-FORMYLPHENOXYMETHYL)BENZOIC ACID
| Molecular Formula | C17H15ClO5 |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 3.8284 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0608 |
| Heavy Atoms | 23 |
| Complexity | 726.9188 |
Chemical Identifiers
| CAS Number | 428843-08-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=O)Cl)OCC2=CC(=CC=C2)C(=O)O |
Product Overview
3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid (CAS 428843-08-7), with molecular formula C17H15ClO5 and molecular weight 334.06 g/mol. IUPAC: 3-[(2-chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid.
Chemical Property Profile of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid
Property Insights of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid
The XLogP value of 3.8284 indicates that 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic 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 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid?
The CAS number of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid is 428843-08-7.
What is the molecular formula of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid?
The molecular formula of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid is C17H15ClO5.
What is the molecular weight of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid?
The molecular weight of 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid is 334.06 g/mol.
Where can I buy 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid?
You can request a quote for 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloro-6-ethoxy-4-formylphenoxy)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.