![3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole structure](/static/products/889/889956-82-5.png)
3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole
TL;DR: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole (CAS 889956-82-5) is a chemical compound with molecular formula C19H12ClN3O4 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole, A3924/0167005, 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole, 3-(1,3-Benzodioxol-5-yl)-5-(3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)-1,2,4-oxadiazole, 3-(2H-1,3-BENZODIOXOL-5-YL)-5-[3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOL-4-YL]-1,2,4-OXADIAZOLE
| Molecular Formula | C19H12ClN3O4 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 4.74912 |
| Topological Polar Surface Area | 83.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.05164 |
| Heavy Atoms | 27 |
| Complexity | 1151.5747 |
Chemical Identifiers
| CAS Number | 889956-82-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5 |
Product Overview
3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole (CAS 889956-82-5), with molecular formula C19H12ClN3O4 and molecular weight 381.05 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole
Property Insights of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole
The XLogP value of 4.74912 indicates that 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole has 0 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 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole?
The CAS number of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole is 889956-82-5.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole is C19H12ClN3O4.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole is 381.05 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-5-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.