4-Tert-butyl-3-(dimethylamino)benzoic acid
TL;DR: 4-Tert-butyl-3-(dimethylamino)benzoic acid (CAS 89302-57-8) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-3-(dimethylamino)benzoic acid
Also Known As: 4-tert-butyl-3-(dimethylamino)benzoic acid, Benzoic acid, 3-(dimethylamino)-4-(1,1-dimethylethyl)-, AE-562/43287052, 3-(dimethylamino)-4-(tert-butyl)benzoic acid
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.7483 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 402.88388 |
Chemical Identifiers
| CAS Number | 89302-57-8 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)O)N(C)C |
Product Overview
4-Tert-butyl-3-(dimethylamino)benzoic acid (CAS 89302-57-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 4-tert-butyl-3-(dimethylamino)benzoic acid.
Chemical Property Profile of 4-Tert-butyl-3-(dimethylamino)benzoic acid
Property Insights of 4-Tert-butyl-3-(dimethylamino)benzoic acid
The XLogP value of 2.7483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Tert-butyl-3-(dimethylamino)benzoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 4-Tert-butyl-3-(dimethylamino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-3-(dimethylamino)benzoic acid has 1 hydrogen bond donor(s) and 2 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-Tert-butyl-3-(dimethylamino)benzoic acid?
The CAS number of 4-Tert-butyl-3-(dimethylamino)benzoic acid is 89302-57-8.
What is the molecular formula of 4-Tert-butyl-3-(dimethylamino)benzoic acid?
The molecular formula of 4-Tert-butyl-3-(dimethylamino)benzoic acid is C13H19NO2.
What is the molecular weight of 4-Tert-butyl-3-(dimethylamino)benzoic acid?
The molecular weight of 4-Tert-butyl-3-(dimethylamino)benzoic acid is 221.14 g/mol.
Where can I buy 4-Tert-butyl-3-(dimethylamino)benzoic acid?
You can request a quote for 4-Tert-butyl-3-(dimethylamino)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-Tert-butyl-3-(dimethylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-3-(dimethylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.