N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
TL;DR: N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CAS 431892-90-9) 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.
N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
Also Known As: AB00115784-01, AF-399/40769170, N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide, 2-(1,3-dioxobenzo[c]azolin-2-yl)-N-(4-chloro-3-nitrophenyl)-3-methylbutanamide, N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamide
| Molecular Formula | C19H16ClN3O5 |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.5075 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.07785 |
| Heavy Atoms | 28 |
| Complexity | 969.81366 |
Chemical Identifiers
| CAS Number | 431892-90-9 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide (CAS 431892-90-9), with molecular formula C19H16ClN3O5 and molecular weight 401.08 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide.
Chemical Property Profile of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
Property Insights of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
The XLogP value of 3.5075 indicates that N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide 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 N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide. Following Lipinski's Rule of Five, N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide 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-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The CAS number of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is 431892-90-9.
What is the molecular formula of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The molecular formula of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is C19H16ClN3O5.
What is the molecular weight of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
The molecular weight of N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide is 401.08 g/mol.
Where can I buy N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
You can request a quote for N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.