2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide
TL;DR: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide (CAS 445227-85-0) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(3-nitrophenyl)pentanamide
Also Known As: CBKinase1_005996, CBKinase1_018396, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide, BRD-A08153253-001-01-8, 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(3-nitrophenyl)pentanamide
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 3.2442 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 934.8184 |
Chemical Identifiers
| CAS Number | 445227-85-0 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide (CAS 445227-85-0), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(3-nitrophenyl)pentanamide.
Chemical Property Profile of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide
Property Insights of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide
The XLogP value of 3.2442 indicates that 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide 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-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide 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-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide?
The CAS number of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide is 445227-85-0.
What is the molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide?
The molecular formula of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide is C20H19N3O5.
What is the molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide?
The molecular weight of 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide is 381.13 g/mol.
Where can I buy 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide?
You can request a quote for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{3-nitrophenyl}-4-methylpentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.