5-Amino-4-benzylisoxazol-3(2H)-one
TL;DR: 5-Amino-4-benzylisoxazol-3(2H)-one (CAS 881-25-4) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4-benzyl-1,2-oxazol-3-one
Also Known As: 5-Amino-4-benzylisoxazol-3(2H)-one, 5-amino-4-benzyl-1,2-oxazol-3-one, 5-Amino-4-benzyl-1,2-oxazol-3(2H)-one, 3(2H)-Isoxazolone, 5-amino-4-(phenylmethyl)-
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 881-25-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(ONC2=O)N |
| InChIKey | IZSBBJMPASJLEF-UHFFFAOYSA-N |
Product Overview
5-Amino-4-benzylisoxazol-3(2H)-one (CAS 881-25-4), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 5-amino-4-benzyl-1,2-oxazol-3-one.
Chemical Property Profile of 5-Amino-4-benzylisoxazol-3(2H)-one
Property Insights of 5-Amino-4-benzylisoxazol-3(2H)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-benzylisoxazol-3(2H)-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-benzylisoxazol-3(2H)-one. Following Lipinski's Rule of Five, 5-Amino-4-benzylisoxazol-3(2H)-one has 2 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 5-Amino-4-benzylisoxazol-3(2H)-one?
The CAS number of 5-Amino-4-benzylisoxazol-3(2H)-one is 881-25-4.
What is the molecular formula of 5-Amino-4-benzylisoxazol-3(2H)-one?
The molecular formula of 5-Amino-4-benzylisoxazol-3(2H)-one is C10H10N2O2.
What is the molecular weight of 5-Amino-4-benzylisoxazol-3(2H)-one?
The molecular weight of 5-Amino-4-benzylisoxazol-3(2H)-one is 190.07 g/mol.
Where can I buy 5-Amino-4-benzylisoxazol-3(2H)-one?
You can request a quote for 5-Amino-4-benzylisoxazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-benzylisoxazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-benzylisoxazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.