2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline
TL;DR: 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline (CAS 250592-89-3) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline
Also Known As: 2-(4,5-dihydroisoxazol-3-yl)-3-methylaniline, 2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline, 2-(4,5-dihydroisoxazol-3-yl) -3-methylaniline, 3-(2-Methyl-6-aminophenyl)-4,5-dihydroisoxazole, 2-(4,5-Dihydro-3-isoxazolyl)-3-methylbenzenamine
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.70162 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 337.6924 |
Chemical Identifiers
| CAS Number | 250592-89-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N)C2=NOCC2 |
Product Overview
2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline (CAS 250592-89-3), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline.
Chemical Property Profile of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline
Property Insights of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline
The XLogP value of 1.70162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline. With a topological polar surface area (TPSA) of 47.61 Ų, 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline 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 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline?
The CAS number of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline is 250592-89-3.
What is the molecular formula of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline?
The molecular formula of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline is C10H12N2O.
What is the molecular weight of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline?
The molecular weight of 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline is 176.09 g/mol.
Where can I buy 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline?
You can request a quote for 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dihydroisoxazol-3-yl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.