3-(4-Benzyl-phenyl)-isoxazol-5-ylamine
TL;DR: 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine (CAS 501902-13-2) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylphenyl)-1,2-oxazol-5-amine
Also Known As: 3-(4-BENZYL-PHENYL)-ISOXAZOL-5-YLAMINE, 3-(4-benzylphenyl)-1,2-oxazol-5-amine, 3-(4-Benzylphenyl)isoxazol-5-amine, 3-(4-benzylphenyl)isoxazol-5-ylamine
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.5146 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 656.73065 |
Chemical Identifiers
| CAS Number | 501902-13-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=NOC(=C3)N |
Product Overview
3-(4-Benzyl-phenyl)-isoxazol-5-ylamine (CAS 501902-13-2), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 3-(4-benzylphenyl)-1,2-oxazol-5-amine.
Chemical Property Profile of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine
Property Insights of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine
The XLogP value of 3.5146 indicates that 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine 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-(4-Benzyl-phenyl)-isoxazol-5-ylamine?
The CAS number of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine is 501902-13-2.
What is the molecular formula of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine?
The molecular formula of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine is C16H14N2O.
What is the molecular weight of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine?
The molecular weight of 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine is 250.11 g/mol.
Where can I buy 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine?
You can request a quote for 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzyl-phenyl)-isoxazol-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.