N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine
TL;DR: N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine (CAS 392312-40-2) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
Also Known As: 3-methyl-5-diethylaminomethylisoxazole, N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine, diethyl[(3-methylisoxazol-5-yl)methyl]amine, N-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine, 5-Isoxazolemethanamine, N,N-diethyl-3-methyl- (9CI)
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 1.82482 |
| Topological Polar Surface Area | 29.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 228.18733 |
Chemical Identifiers
| CAS Number | 392312-40-2 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=NO1)C |
Product Overview
N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine (CAS 392312-40-2), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: N-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine.
Chemical Property Profile of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine
Property Insights of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine
The XLogP value of 1.82482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine. With a topological polar surface area (TPSA) of 29.27 Ų, N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine has 0 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 N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine?
The CAS number of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine is 392312-40-2.
What is the molecular formula of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine?
The molecular formula of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine is C9H16N2O.
What is the molecular weight of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine?
The molecular weight of N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine is 168.13 g/mol.
Where can I buy N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine?
You can request a quote for N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N-((3-methylisoxazol-5-yl)methyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.