N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide (CAS 404591-19-1) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide, N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.0621 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 990.352 |
Chemical Identifiers
| CAS Number | 404591-19-1 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide (CAS 404591-19-1), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide
The XLogP value of 3.0621 indicates that N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide 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 N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide is 404591-19-1.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide is C20H18N2O5.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide is 366.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-tert-butyl-1,3-dioxoisoindole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.