2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 312947-99-2) is a chemical compound with molecular formula C11H8BrN3O4 and molecular weight 324.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate, [2-(4-bromophenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate
| Molecular Formula | C11H8BrN3O4 |
|---|---|
| Molecular Weight | 324.97 g/mol |
| LogP | 1.454 |
| Topological Polar Surface Area | 108.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.96982 |
| Heavy Atoms | 19 |
| Complexity | 608.6578 |
Chemical Identifiers
| CAS Number | 312947-99-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)C2=NON=C2N)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate (CAS 312947-99-2), with molecular formula C11H8BrN3O4 and molecular weight 324.97 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 4-amino-1,2,5-oxadiazole-3-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
The XLogP value of 1.454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-2-oxoethyl 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 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 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 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 312947-99-2.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate is C11H8BrN3O4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate is 324.97 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 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 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 4-amino-1,2,5-oxadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.