4-(benzylideneamino)benzoic Acid
TL;DR: 4-(benzylideneamino)benzoic Acid (CAS 3939-41-1) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylideneamino)benzoic acid
Also Known As: 4-(benzylideneamino)benzoic Acid, 4-(a-benzylideneamino)benzoic acid, Benzoic acid, 4-[(E)-(phenylmethylene)amino]-, benzylideneaniline-p-carboxylic acid, Benzoic acid, p-(benzylideneamino)-
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3939-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | MREPJQZHXSDMKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(benzylideneamino)benzoic Acid (CAS 3939-41-1), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 4-(benzylideneamino)benzoic acid.
Chemical Property Profile of 4-(benzylideneamino)benzoic Acid
Property Insights of 4-(benzylideneamino)benzoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(benzylideneamino)benzoic Acid. With a topological polar surface area (TPSA) of 49.7 Ų, 4-(benzylideneamino)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzylideneamino)benzoic Acid has 1 hydrogen bond donor(s) and 3 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-(benzylideneamino)benzoic Acid?
The CAS number of 4-(benzylideneamino)benzoic Acid is 3939-41-1.
What is the molecular formula of 4-(benzylideneamino)benzoic Acid?
The molecular formula of 4-(benzylideneamino)benzoic Acid is C14H11NO2.
What is the molecular weight of 4-(benzylideneamino)benzoic Acid?
The molecular weight of 4-(benzylideneamino)benzoic Acid is 225.08 g/mol.
Where can I buy 4-(benzylideneamino)benzoic Acid?
You can request a quote for 4-(benzylideneamino)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzylideneamino)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzylideneamino)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.