![3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid structure](/static/products/3219/321963-76-2.webp)
3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid
TL;DR: 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid (CAS 321963-76-2) is a chemical compound with molecular formula C16H13Br2NO4 and molecular weight 440.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzoic acid
Also Known As: 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid, 3-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzoic acid, 3-((2,3-Dibromo-5-ethoxy-6-hydroxybenzylidene)amino)benzoic acid, 3-[(E)-[(2,3-DIBROMO-5-ETHOXY-6-HYDROXYPHENYL)METHYLIDENE]AMINO]BENZOIC ACID, 3-{[(E)-1-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid
| Molecular Formula | C16H13Br2NO4 |
|---|---|
| Molecular Weight | 440.92 g/mol |
| LogP | 4.7647 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.92114 |
| Heavy Atoms | 23 |
| Complexity | 774.91583 |
Chemical Identifiers
| CAS Number | 321963-76-2 |
|---|---|
| SMILES | CCOC1=CC(=C(C(=C1O)C=NC2=CC=CC(=C2)C(=O)O)Br)Br |
Product Overview
3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid (CAS 321963-76-2), with molecular formula C16H13Br2NO4 and molecular weight 440.92 g/mol. IUPAC: 3-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzoic acid.
Chemical Property Profile of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid
Property Insights of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid
The XLogP value of 4.7647 indicates that 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid has 2 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-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid?
The CAS number of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid is 321963-76-2.
What is the molecular formula of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid?
The molecular formula of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid is C16H13Br2NO4.
What is the molecular weight of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid?
The molecular weight of 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid is 440.92 g/mol.
Where can I buy 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid?
You can request a quote for 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}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-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.