Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate
TL;DR: Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 337314-58-6) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Also Known As: TimTec1_008477, BAS 09590372, phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate, 2-oxo-2-phenylethyl 4-amino-1,2,5-oxadiazole-3-carboxylate, 4-Amino-furazan-3-carboxylic acid 2-oxo-2-phenyl-ethyl ester
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 0.6915 |
| Topological Polar Surface Area | 108.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 564.6771 |
Chemical Identifiers
| CAS Number | 337314-58-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=NON=C2N |
Product Overview
Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 337314-58-6), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate.
Chemical Property Profile of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Property Insights of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate
The XLogP value of 0.6915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate. The TPSA of 108.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate. Following Lipinski's Rule of Five, Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The CAS number of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 337314-58-6.
What is the molecular formula of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular formula of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate is C11H9N3O4.
What is the molecular weight of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular weight of Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 247.06 g/mol.
Where can I buy Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
You can request a quote for Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 4-amino-1,2,5-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.