3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-
TL;DR: 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- (CAS 74704-94-2) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
Also Known As: 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-, N-(5-Methyl-3-isoxazolylmethyl)-2,6-dimethylaniline, N-(2,6-Dimethylphenyl)-5-methyl-3-isoxazolemethanamine, 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline, N-[(5-Methylisoxazol-3-yl)methyl]-2,6-dimethylaniline
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 3.21196 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 468.17786 |
Chemical Identifiers
| CAS Number | 74704-94-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC2=NOC(=C2)C |
Product Overview
3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- (CAS 74704-94-2), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline.
Chemical Property Profile of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-
Property Insights of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-
The XLogP value of 3.21196 indicates that 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.06 Ų, 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- 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 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-?
The CAS number of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- is 74704-94-2.
What is the molecular formula of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-?
The molecular formula of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- is C13H16N2O.
What is the molecular weight of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-?
The molecular weight of 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- is 216.13 g/mol.
Where can I buy 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-?
You can request a quote for 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.