ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate
TL;DR: ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate (CAS 1164548-94-0) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]-3-oxobutanoate
Also Known As: ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate, AH-262/34642016, ethyl (2E)-2-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]-3-oxobutanoate
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 1164548-94-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C)C)/C(=O)C |
| InChIKey | ZCGLQZOKVZMGPE-NTEUORMPSA-N |
Product Overview
ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate (CAS 1164548-94-0), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: ethyl (2E)-2-[(1,2-dimethyl-5-nitroindol-3-yl)methylidene]-3-oxobutanoate.
Chemical Property Profile of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate
Property Insights of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate. Following Lipinski's Rule of Five, ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate has 0 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 ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate?
The CAS number of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate is 1164548-94-0.
What is the molecular formula of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate?
The molecular formula of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate is C17H18N2O5.
What is the molecular weight of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate?
The molecular weight of ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate is 330.12 g/mol.
Where can I buy ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate?
You can request a quote for ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-acetyl-3-{5-nitro-1,2-dimethyl-1H-indol-3-yl}acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.