2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate
TL;DR: 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate (CAS 729587-92-2) is a chemical compound with molecular formula C13H16BrNO3 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(tert-butylamino)-2-oxoethyl] 2-bromobenzoate
Also Known As: 2-(tert-butylamino)-2-oxoethyl 2-bromobenzoate, [2-(tert-butylamino)-2-oxoethyl] 2-bromobenzoate
| Molecular Formula | C13H16BrNO3 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.5206 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.03137 |
| Heavy Atoms | 18 |
| Complexity | 451.79474 |
Chemical Identifiers
| CAS Number | 729587-92-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1Br |
Product Overview
2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate (CAS 729587-92-2), with molecular formula C13H16BrNO3 and molecular weight 313.03 g/mol. IUPAC: [2-(tert-butylamino)-2-oxoethyl] 2-bromobenzoate.
Chemical Property Profile of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate
Property Insights of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate
The XLogP value of 2.5206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate 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 2-bromobenzoate?
The CAS number of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate is 729587-92-2.
What is the molecular formula of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate?
The molecular formula of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate is C13H16BrNO3.
What is the molecular weight of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate?
The molecular weight of 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate is 313.03 g/mol.
Where can I buy 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate?
You can request a quote for 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate 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 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butylamino)-2-oxoethyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.