3-Phenyl-1,2-benzisoxazol-4-amine
TL;DR: 3-Phenyl-1,2-benzisoxazol-4-amine (CAS 132269-82-0) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,2-benzoxazol-4-amine
Also Known As: 3-phenyl-1,2-benzisoxazol-4-amine, 3-Phenylbenzo[d]isoxazol-4-amine, 3-phenyl-1,2-benzoxazol-4-amine, 1,2-benzisoxazol-4-amine, 3-phenyl-, InChI=1/C13H10N2O/c14-10-7-4-8-11-12(10)13(15-16-11)9-5-2-1-3-6-9/h1-8H,14H
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 132269-82-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC3=CC=CC(=C32)N |
| InChIKey | JYRDQMUTMHUFAP-UHFFFAOYSA-N |
Product Overview
3-Phenyl-1,2-benzisoxazol-4-amine (CAS 132269-82-0), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 3-phenyl-1,2-benzoxazol-4-amine.
Chemical Property Profile of 3-Phenyl-1,2-benzisoxazol-4-amine
Property Insights of 3-Phenyl-1,2-benzisoxazol-4-amine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1,2-benzisoxazol-4-amine. With a topological polar surface area (TPSA) of 52.1 Ų, 3-Phenyl-1,2-benzisoxazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1,2-benzisoxazol-4-amine 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-Phenyl-1,2-benzisoxazol-4-amine?
The CAS number of 3-Phenyl-1,2-benzisoxazol-4-amine is 132269-82-0.
What is the molecular formula of 3-Phenyl-1,2-benzisoxazol-4-amine?
The molecular formula of 3-Phenyl-1,2-benzisoxazol-4-amine is C13H10N2O.
What is the molecular weight of 3-Phenyl-1,2-benzisoxazol-4-amine?
The molecular weight of 3-Phenyl-1,2-benzisoxazol-4-amine is 210.08 g/mol.
Where can I buy 3-Phenyl-1,2-benzisoxazol-4-amine?
You can request a quote for 3-Phenyl-1,2-benzisoxazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1,2-benzisoxazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1,2-benzisoxazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.