![N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide structure](/static/products/3309/330971-74-9.webp)
N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide
TL;DR: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide (CAS 330971-74-9) is a chemical compound with molecular formula C29H17N3O6 and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide
Also Known As: BIM-0003854.P001, N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide
| Molecular Formula | C29H17N3O6 |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 5.4213 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.11172 |
| Heavy Atoms | 38 |
| Complexity | 1687.9768 |
Chemical Identifiers
| CAS Number | 330971-74-9 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-] |
Product Overview
N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide (CAS 330971-74-9), with molecular formula C29H17N3O6 and molecular weight 503.11 g/mol. IUPAC: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide.
Chemical Property Profile of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide
Property Insights of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide
The XLogP value of 5.4213 indicates that N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide. Following Lipinski's Rule of Five, N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide?
The CAS number of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide is 330971-74-9.
What is the molecular formula of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide?
The molecular formula of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide is C29H17N3O6.
What is the molecular weight of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide?
The molecular weight of N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide is 503.11 g/mol.
Where can I buy N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide?
You can request a quote for N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.