(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester
TL;DR: (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester (CAS 17859-59-5) is a chemical compound with molecular formula C12H10N2O6 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
Also Known As: N,N-(4-nitro-phthaloyl)-glycine ethyl ester, AB00074040-01, ethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate, ethyl (5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester
| Molecular Formula | C12H10N2O6 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0539 |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 17859-59-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | YWXUNEVKOCEMRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester (CAS 17859-59-5), with molecular formula C12H10N2O6 and molecular weight 278.05 g/mol. IUPAC: ethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester
Property Insights of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester has 0 hydrogen bond donor(s) and 6 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 (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester?
The CAS number of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester is 17859-59-5.
What is the molecular formula of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester?
The molecular formula of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester is C12H10N2O6.
What is the molecular weight of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester?
The molecular weight of (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester is 278.05 g/mol.
Where can I buy (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester?
You can request a quote for (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.