![4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid structure](/static/products/393/3939-39-7.png)
4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid
TL;DR: 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid (CAS 3939-39-7) 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.
4-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
Also Known As: BAS 00552573, J2.652.150E, 4-[4-(Dimethylamino)benzylideneamino]benzoic acid, 4-{[4-(dimethylamino)benzylidene]amino}benzoic acid, 4-[(4-Dimethylamino-benzylidene)-amino]-benzoic acid
| 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 | 338.0 |
Chemical Identifiers
| CAS Number | 3939-39-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | SLMCOWGSIBTSAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid (CAS 3939-39-7), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid.
Chemical Property Profile of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid
Property Insights of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid. With a topological polar surface area (TPSA) of 52.9 Ų, 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(Dimethylamino)benzylidene]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 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid?
The CAS number of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid is 3939-39-7.
What is the molecular formula of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid?
The molecular formula of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid is C16H16N2O2.
What is the molecular weight of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid?
The molecular weight of 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid is 268.12 g/mol.
Where can I buy 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid?
You can request a quote for 4-{[4-(Dimethylamino)benzylidene]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 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Dimethylamino)benzylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.