3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium
TL;DR: 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium (CAS 120686-18-2) is a chemical compound with molecular formula C13H20NO2+ and molecular weight 222.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]azanium
Also Known As: 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium, (1S)-3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium, [(1S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]azanium
| Molecular Formula | C13H20NO2+ |
|---|---|
| Molecular Weight | 222.15 g/mol |
| LogP | 1.7014 |
| Topological Polar Surface Area | 53.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1494 |
| Heavy Atoms | 16 |
| Complexity | 340.70026 |
Chemical Identifiers
| CAS Number | 120686-18-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@@H](C1=CC=CC=C1)[NH3+] |
Product Overview
3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium (CAS 120686-18-2), with molecular formula C13H20NO2+ and molecular weight 222.15 g/mol. IUPAC: [(1S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-phenylpropyl]azanium.
Chemical Property Profile of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium
Property Insights of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium
The XLogP value of 1.7014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium. With a topological polar surface area (TPSA) of 53.94 Ų, 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium has 1 hydrogen bond donor(s) and 2 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 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium?
The CAS number of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium is 120686-18-2.
What is the molecular formula of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium?
The molecular formula of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium is C13H20NO2+.
What is the molecular weight of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium?
The molecular weight of 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium is 222.15 g/mol.
Where can I buy 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium?
You can request a quote for 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butoxy-3-oxo-1-phenylpropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.