2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
TL;DR: 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide (CAS 4418-73-9) is a chemical compound with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
Also Known As: ChemDiv2_004385, IDI1_003100, 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide, AN-979/40712061, 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
| Molecular Formula | C20H15N3O4 |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 3.03152 |
| Topological Polar Surface Area | 92.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10626 |
| Heavy Atoms | 27 |
| Complexity | 1056.0986 |
Chemical Identifiers
| CAS Number | 4418-73-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4 |
Product Overview
2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide (CAS 4418-73-9), with molecular formula C20H15N3O4 and molecular weight 361.11 g/mol. IUPAC: 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
Property Insights of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
The XLogP value of 3.03152 indicates that 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide. Following Lipinski's Rule of Five, 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide has 1 hydrogen bond donor(s) and 5 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-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide?
The CAS number of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide is 4418-73-9.
What is the molecular formula of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide?
The molecular formula of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide is C20H15N3O4.
What is the molecular weight of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide?
The molecular weight of 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide is 361.11 g/mol.
Where can I buy 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide?
You can request a quote for 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.