2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid
TL;DR: 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid (CAS 39900-95-3) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
Also Known As: AI3-20239, 2-[[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]AMINO]BENZOIC ACID, 2-(4-(dimethylamino)benzylideneamino)benzoic acid, 2-[[[4- phenyl]methylene]amino]benzoicacid, 3-14-00-00948 (Beilstein Handbook Reference)
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 39900-95-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O |
| InChIKey | POYMPTXRBMLDIL-UHFFFAOYSA-N |
Product Overview
2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid (CAS 39900-95-3), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid.
Chemical Property Profile of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid
Property Insights of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid. With a topological polar surface area (TPSA) of 52.9 Ų, 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((4-(Dimethylamino)phenyl)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-(Dimethylamino)phenyl)methylene)amino)benzoic acid?
The CAS number of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid is 39900-95-3.
What is the molecular formula of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid?
The molecular formula of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid is C16H16N2O2.
What is the molecular weight of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid?
The molecular weight of 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid is 268.12 g/mol.
Where can I buy 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid?
You can request a quote for 2-(((4-(Dimethylamino)phenyl)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-(Dimethylamino)phenyl)methylene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-(Dimethylamino)phenyl)methylene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.