n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide
TL;DR: n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide (CAS 854023-65-7) is a chemical compound with molecular formula C12H10BrFN2O2 and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
Also Known As: n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide, N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide, (3,5-dimethylisoxazol-4-yl)-N-(4-bromo-2-fluorophenyl)carboxamide, N-(4-BROMO-2-FLUOROPHENYL)-3,5-DIMETHYL-4-ISOXAZOLECARBOXAMIDE
| Molecular Formula | C12H10BrFN2O2 |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 3.44534 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.99097 |
| Heavy Atoms | 18 |
| Complexity | 590.62006 |
Chemical Identifiers
| CAS Number | 854023-65-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)NC2=C(C=C(C=C2)Br)F |
Product Overview
n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide (CAS 854023-65-7), with molecular formula C12H10BrFN2O2 and molecular weight 311.99 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide
Property Insights of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide
The XLogP value of 3.44534 indicates that n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide 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 n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide?
The CAS number of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide is 854023-65-7.
What is the molecular formula of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide?
The molecular formula of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide is C12H10BrFN2O2.
What is the molecular weight of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide?
The molecular weight of n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide is 311.99 g/mol.
Where can I buy n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide?
You can request a quote for n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Bromo-2-fluorophenyl)-3,5-dimethylisoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.