3-Amino-4-tert-butylbenzoic acid
TL;DR: 3-Amino-4-tert-butylbenzoic acid (CAS 91246-68-3) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-tert-butylbenzoic acid
Also Known As: 3-amino-4-tert-butylbenzoic acid, 3-amino-4-(tert-butyl)benzoic acid, 3-amino-4-t-butylbenzoic acid, 3-Amino-4-tert-butyl-benzoic acid, 3-amino-4-(tert-butyl)benzoicacid
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 91246-68-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C(=O)O)N |
| InChIKey | QSLBIRSOUBACFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-tert-butylbenzoic acid (CAS 91246-68-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 3-amino-4-tert-butylbenzoic acid.
Chemical Property Profile of 3-Amino-4-tert-butylbenzoic acid
Property Insights of 3-Amino-4-tert-butylbenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-tert-butylbenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-tert-butylbenzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-tert-butylbenzoic acid has 2 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 3-Amino-4-tert-butylbenzoic acid?
The CAS number of 3-Amino-4-tert-butylbenzoic acid is 91246-68-3.
What is the molecular formula of 3-Amino-4-tert-butylbenzoic acid?
The molecular formula of 3-Amino-4-tert-butylbenzoic acid is C11H15NO2.
What is the molecular weight of 3-Amino-4-tert-butylbenzoic acid?
The molecular weight of 3-Amino-4-tert-butylbenzoic acid is 193.11 g/mol.
Where can I buy 3-Amino-4-tert-butylbenzoic acid?
You can request a quote for 3-Amino-4-tert-butylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-tert-butylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-tert-butylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.