2-(tert-Butylamino)-2-oxoethyl benzoate
TL;DR: 2-(tert-Butylamino)-2-oxoethyl benzoate (CAS 106231-52-1) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(tert-butylamino)-2-oxoethyl] benzoate
Also Known As: N-tert-Butyl(benzoyloxy)acetamide, (tert-butylcarbamoyl)methyl benzoate, 2-(Benzoyloxy)-N-tert-butylacetamide, 2-(tert-Butylamino)-2-oxoethyl benzoate, [2-(tert-butylamino)-2-oxoethyl] benzoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.7581 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 392.87564 |
Chemical Identifiers
| CAS Number | 106231-52-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1 |
Product Overview
2-(tert-Butylamino)-2-oxoethyl benzoate (CAS 106231-52-1), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: [2-(tert-butylamino)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(tert-Butylamino)-2-oxoethyl benzoate
Property Insights of 2-(tert-Butylamino)-2-oxoethyl benzoate
The XLogP value of 1.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylamino)-2-oxoethyl benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(tert-Butylamino)-2-oxoethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butylamino)-2-oxoethyl benzoate 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 2-(tert-Butylamino)-2-oxoethyl benzoate?
The CAS number of 2-(tert-Butylamino)-2-oxoethyl benzoate is 106231-52-1.
What is the molecular formula of 2-(tert-Butylamino)-2-oxoethyl benzoate?
The molecular formula of 2-(tert-Butylamino)-2-oxoethyl benzoate is C13H17NO3.
What is the molecular weight of 2-(tert-Butylamino)-2-oxoethyl benzoate?
The molecular weight of 2-(tert-Butylamino)-2-oxoethyl benzoate is 235.12 g/mol.
Where can I buy 2-(tert-Butylamino)-2-oxoethyl benzoate?
You can request a quote for 2-(tert-Butylamino)-2-oxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butylamino)-2-oxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylamino)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.