(Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate
TL;DR: (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate (CAS 42450-62-4) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(1-methylindol-3-yl)-2-nitroprop-2-enoate
Also Known As: (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate, ethyl (Z)-3-(1-methylindol-3-yl)-2-nitroprop-2-enoate
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 2.359 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 700.26184 |
Chemical Identifiers
| CAS Number | 42450-62-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/[N+](=O)[O-] |
Product Overview
(Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate (CAS 42450-62-4), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: ethyl (Z)-3-(1-methylindol-3-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate
Property Insights of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate
The XLogP value of 2.359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate. Following Lipinski's Rule of Five, (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate has 0 hydrogen bond donor(s) and 4 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 (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate?
The CAS number of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate is 42450-62-4.
What is the molecular formula of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate?
The molecular formula of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate is C14H14N2O4.
What is the molecular weight of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate?
The molecular weight of (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate is 274.10 g/mol.
Where can I buy (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate?
You can request a quote for (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 3-(1-methyl-1H-indol-3-yl)-2-nitroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.