![5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide structure](/static/products/955/955868-91-4.png)
5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
TL;DR: 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide (CAS 955868-91-4) is a chemical compound with molecular formula C24H22N4O4 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
Also Known As: 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide, 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide, 5-(2H-1,3-benzodioxol-5-yl)-N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-1,2-oxazole-3-carboxamide, 5-(benzo[d][1,3]dioxol-5-yl)-N-(3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl)isoxazole-3-carboxamide, (5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)isoxazol-3-yl)-N-{3,5-dimethyl-1-[(4-meth ylphenyl)methyl]pyrazol-4-yl}carboxamide
| Molecular Formula | C24H22N4O4 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 4.49266 |
| Topological Polar Surface Area | 91.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.1641 |
| Heavy Atoms | 32 |
| Complexity | 1304.288 |
Chemical Identifiers
| CAS Number | 955868-91-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCO5)C |
Product Overview
5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide (CAS 955868-91-4), with molecular formula C24H22N4O4 and molecular weight 430.16 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
Property Insights of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
The XLogP value of 4.49266 indicates that 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide?
The CAS number of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide is 955868-91-4.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide is C24H22N4O4.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide is 430.16 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.