tert-Butyl-3-aminobenzoate
TL;DR: tert-Butyl-3-aminobenzoate (CAS 92146-82-2) 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.
tert-butyl 3-aminobenzoate
Also Known As: tert-Butyl 3-aminobenzoate, TERT-BUTYL-3-AMINOBENZOATE, t-butyl 3-aminobenzoate, 1,1-dimethylethyl 3-aminobenzoate, 2-Bromo-3-fluoroanisole
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.2241 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 339.38593 |
Chemical Identifiers
| CAS Number | 92146-82-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC(=CC=C1)N |
Product Overview
tert-Butyl-3-aminobenzoate (CAS 92146-82-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: tert-butyl 3-aminobenzoate.
Chemical Property Profile of tert-Butyl-3-aminobenzoate
Property Insights of tert-Butyl-3-aminobenzoate
The XLogP value of 2.2241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl-3-aminobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, tert-Butyl-3-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl-3-aminobenzoate 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 tert-Butyl-3-aminobenzoate?
The CAS number of tert-Butyl-3-aminobenzoate is 92146-82-2.
What is the molecular formula of tert-Butyl-3-aminobenzoate?
The molecular formula of tert-Butyl-3-aminobenzoate is C11H15NO2.
What is the molecular weight of tert-Butyl-3-aminobenzoate?
The molecular weight of tert-Butyl-3-aminobenzoate is 193.11 g/mol.
Where can I buy tert-Butyl-3-aminobenzoate?
You can request a quote for tert-Butyl-3-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl-3-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl-3-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.