Benzoic acid, 2-amino-, 1,1-dimethylethyl ester
TL;DR: Benzoic acid, 2-amino-, 1,1-dimethylethyl ester (CAS 64113-91-3) 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.
tert-butyl 2-aminobenzoate
Also Known As: tert-Butyl 2-aminobenzoate, tert-Butyl anthranilate, Butyl 2-aminobenzoate, t-butyl 2-aminobenzoate, BUTYL ANTHRANILATE
| 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 | 64113-91-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1N |
Product Overview
Benzoic acid, 2-amino-, 1,1-dimethylethyl ester (CAS 64113-91-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: tert-butyl 2-aminobenzoate.
Chemical Property Profile of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester
Property Insights of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester
The XLogP value of 2.2241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-amino-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, Benzoic acid, 2-amino-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-amino-, 1,1-dimethylethyl ester 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 Benzoic acid, 2-amino-, 1,1-dimethylethyl ester?
The CAS number of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester is 64113-91-3.
What is the molecular formula of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester?
The molecular formula of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester is C11H15NO2.
What is the molecular weight of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester?
The molecular weight of Benzoic acid, 2-amino-, 1,1-dimethylethyl ester is 193.11 g/mol.
Where can I buy Benzoic acid, 2-amino-, 1,1-dimethylethyl ester?
You can request a quote for Benzoic acid, 2-amino-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-amino-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-amino-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.