3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide
TL;DR: 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide (CAS 301680-85-3) is a chemical compound with molecular formula C17H12ClIN2O2 and molecular weight 437.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: BAS 00839956, 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methylisoxazole-4-carboxamide, 3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-iodo-phenyl)-amide
| Molecular Formula | C17H12ClIN2O2 |
|---|---|
| Molecular Weight | 437.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.9632 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 301680-85-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)I |
| InChIKey | DEJMFURKEAUJHW-UHFFFAOYSA-N |
Product Overview
3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide (CAS 301680-85-3), with molecular formula C17H12ClIN2O2 and molecular weight 437.96 g/mol. IUPAC: 3-(2-chlorophenyl)-N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide
Property Insights of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide
The XLogP value of 4.5 indicates that 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide 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 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide?
The CAS number of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide is 301680-85-3.
What is the molecular formula of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide?
The molecular formula of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide is C17H12ClIN2O2.
What is the molecular weight of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide?
The molecular weight of 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide is 437.96 g/mol.
Where can I buy 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide?
You can request a quote for 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-N-(4-iodophenyl)-5-methyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.