2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid
TL;DR: 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid (CAS 71936-99-7) is a chemical compound with molecular formula C15H10BrNO4 and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
Also Known As: 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid, Benzoic acid, 2-(((4-bromo,1,3-benzodioxol-5-yl)methylene)amino)-, 2-[(4-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
| Molecular Formula | C15H10BrNO4 |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.9793 |
| Heavy Atoms | 21 |
| Complexity | 742.4486 |
Chemical Identifiers
| CAS Number | 71936-99-7 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)C=NC3=CC=CC=C3C(=O)O)Br |
Product Overview
2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid (CAS 71936-99-7), with molecular formula C15H10BrNO4 and molecular weight 346.98 g/mol. IUPAC: 2-[(4-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid
Property Insights of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid
The XLogP value of 3.6266 indicates that 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid. Following Lipinski's Rule of Five, 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)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 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid?
The CAS number of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid is 71936-99-7.
What is the molecular formula of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid?
The molecular formula of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid is C15H10BrNO4.
What is the molecular weight of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid?
The molecular weight of 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid is 346.98 g/mol.
Where can I buy 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid?
You can request a quote for 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)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 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Bromo-1,3-benzodioxol-5-yl)methylene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.