N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine
TL;DR: N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine (CAS 676539-91-6) is a chemical compound with molecular formula C6H11N3O and molecular weight 141.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
Also Known As: ZERO/004863, Ethyl-(4-methyl-furazan-3-ylmethyl)-amine, N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine, N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine, ethyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amine
| Molecular Formula | C6H11N3O |
|---|---|
| Molecular Weight | 141.09 g/mol |
| LogP | 0.48752 |
| Topological Polar Surface Area | 50.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 141.09021 |
| Heavy Atoms | 10 |
| Complexity | 196.62793 |
Chemical Identifiers
| CAS Number | 676539-91-6 |
|---|---|
| SMILES | CCNCC1=NON=C1C |
Product Overview
N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine (CAS 676539-91-6), with molecular formula C6H11N3O and molecular weight 141.09 g/mol. IUPAC: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.
Chemical Property Profile of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine
Property Insights of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine
The XLogP value of 0.48752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine. With a topological polar surface area (TPSA) of 50.95 Ų, N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine has 1 hydrogen bond donor(s) and 4 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-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine?
The CAS number of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine is 676539-91-6.
What is the molecular formula of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine?
The molecular formula of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine is C6H11N3O.
What is the molecular weight of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine?
The molecular weight of N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine is 141.09 g/mol.
Where can I buy N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine?
You can request a quote for N-((4-Methyl-1,2,5-oxadiazol-3-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-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Methyl-1,2,5-oxadiazol-3-yl)methyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.