2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
TL;DR: 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide (CAS 423740-62-9) is a chemical compound with molecular formula C19H16ClN3O5 and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
Also Known As: 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide, 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
| Molecular Formula | C19H16ClN3O5 |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.895 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.07785 |
| Heavy Atoms | 28 |
| Complexity | 1042.35 |
Chemical Identifiers
| CAS Number | 423740-62-9 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide (CAS 423740-62-9), with molecular formula C19H16ClN3O5 and molecular weight 401.08 g/mol. IUPAC: 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide.
Chemical Property Profile of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
Property Insights of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
The XLogP value of 3.895 indicates that 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide. Following Lipinski's Rule of Five, 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-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 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The CAS number of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is 423740-62-9.
What is the molecular formula of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The molecular formula of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is C19H16ClN3O5.
What is the molecular weight of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The molecular weight of 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is 401.08 g/mol.
Where can I buy 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
You can request a quote for 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-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 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.