tert-butyl N-ethylcarbamoperoxoate
TL;DR: tert-butyl N-ethylcarbamoperoxoate (CAS 42930-05-2) is a chemical compound with molecular formula C7H15NO3 and molecular weight 161.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-ethylcarbamoperoxoate
Also Known As: tert-butyl N-ethylcarbamoperoxoate, tert-butyl ethylcarbamoperoxoate, tert.-Butyl-N-ethyl-peroxycarbamat, 2-[(Ethylcarbamoyl)peroxy]-2-methylpropane, N-ethylcarbamoperoxoic acid tert-butyl ester
| Molecular Formula | C7H15NO3 |
|---|---|
| Molecular Weight | 161.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.1052 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 42930-05-2 |
|---|---|
| SMILES | CCNC(=O)OOC(C)(C)C |
| InChIKey | VSHNKPLBANPFNT-UHFFFAOYSA-N |
Product Overview
tert-butyl N-ethylcarbamoperoxoate (CAS 42930-05-2), with molecular formula C7H15NO3 and molecular weight 161.11 g/mol. IUPAC: tert-butyl N-ethylcarbamoperoxoate.
Chemical Property Profile of tert-butyl N-ethylcarbamoperoxoate
Property Insights of tert-butyl N-ethylcarbamoperoxoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-ethylcarbamoperoxoate. With a topological polar surface area (TPSA) of 47.6 Ų, tert-butyl N-ethylcarbamoperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-ethylcarbamoperoxoate 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 N-ethylcarbamoperoxoate?
The CAS number of tert-butyl N-ethylcarbamoperoxoate is 42930-05-2.
What is the molecular formula of tert-butyl N-ethylcarbamoperoxoate?
The molecular formula of tert-butyl N-ethylcarbamoperoxoate is C7H15NO3.
What is the molecular weight of tert-butyl N-ethylcarbamoperoxoate?
The molecular weight of tert-butyl N-ethylcarbamoperoxoate is 161.11 g/mol.
Where can I buy tert-butyl N-ethylcarbamoperoxoate?
You can request a quote for tert-butyl N-ethylcarbamoperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-ethylcarbamoperoxoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-ethylcarbamoperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.