4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
TL;DR: 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid (CAS 71937-10-5) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
Also Known As: Maybridge1_003691, DSHS 00502, 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid, 4-[(1,3-benzodioxol-5-ylmethylidene)amino]benzoic acid, 5-19-04-00228 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.06882 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06882 Da |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O |
| InChIKey | OKGVQSBODARQNC-UHFFFAOYSA-N |
Chemical Property Profile of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
Property Insights of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic 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
What is the CAS number of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid?
The CAS number of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid is 71937-10-5.
What is the molecular formula of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid?
The molecular formula of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid is C15H11NO4.
What is the molecular weight of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid?
The molecular weight of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid is 269.06882 g/mol.
Where can I buy 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid?
You can request a quote for 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.