2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate (CAS 351995-27-2) is a chemical compound with molecular formula C22H19BrN2O7 and molecular weight 502.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate, [2-(4-bromophenyl)-2-oxoethyl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate, 2-(4-bromophenyl)-2-oxoethyl 6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate, 2-(4-bromophenyl)-2-oxoethyl 6-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)hexanoate
| Molecular Formula | C22H19BrN2O7 |
|---|---|
| Molecular Weight | 502.04 g/mol |
| LogP | 3.9398 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.03757 |
| Heavy Atoms | 32 |
| Complexity | 1082.187 |
Chemical Identifiers
| CAS Number | 351995-27-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate (CAS 351995-27-2), with molecular formula C22H19BrN2O7 and molecular weight 502.04 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate
The XLogP value of 3.9398 indicates that 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate is 351995-27-2.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate is C22H19BrN2O7.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate is 502.04 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.