4-amino-5-benzoylisoxazole-3-carboxamide
TL;DR: 4-amino-5-benzoylisoxazole-3-carboxamide (CAS 76390-64-2) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-1,2-oxazole-3-carboxamide
Also Known As: 4-amino-5-benzoylisoxazole-3-carboxamide, 4-amino-5-benzoyl-1,2-oxazole-3-carboxamide, ChemDiv2_005371, ZERO/001786, 3-Isoxazolecarboxamide, 4-amino-5-benzoyl-
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 76390-64-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=NO2)C(=O)N)N |
| InChIKey | PEPVENQAOITVSR-UHFFFAOYSA-N |
Product Overview
4-amino-5-benzoylisoxazole-3-carboxamide (CAS 76390-64-2), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 4-amino-5-benzoyl-1,2-oxazole-3-carboxamide.
Chemical Property Profile of 4-amino-5-benzoylisoxazole-3-carboxamide
Property Insights of 4-amino-5-benzoylisoxazole-3-carboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-benzoylisoxazole-3-carboxamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-benzoylisoxazole-3-carboxamide. Following Lipinski's Rule of Five, 4-amino-5-benzoylisoxazole-3-carboxamide has 2 hydrogen bond donor(s) and 5 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 4-amino-5-benzoylisoxazole-3-carboxamide?
The CAS number of 4-amino-5-benzoylisoxazole-3-carboxamide is 76390-64-2.
What is the molecular formula of 4-amino-5-benzoylisoxazole-3-carboxamide?
The molecular formula of 4-amino-5-benzoylisoxazole-3-carboxamide is C11H9N3O3.
What is the molecular weight of 4-amino-5-benzoylisoxazole-3-carboxamide?
The molecular weight of 4-amino-5-benzoylisoxazole-3-carboxamide is 231.06 g/mol.
Where can I buy 4-amino-5-benzoylisoxazole-3-carboxamide?
You can request a quote for 4-amino-5-benzoylisoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-benzoylisoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-benzoylisoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.