methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate
TL;DR: methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate (CAS 42268-57-5) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate
Also Known As: (Z)-methyl 3-(1-acetyl-1H-indol-3-yl)-2-nitroacrylate, methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate, (Z)-3-(1-Acetyl-1H-indol-3-yl)-2-nitro-acrylic acid methyl ester, methyl (2Z)-3-(1-acetyl-1H-indol-3-yl)-2-nitroprop-2-enoate
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.092 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 772.7624 |
Chemical Identifiers
| CAS Number | 42268-57-5 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)OC)\[N+](=O)[O-] |
Product Overview
methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate (CAS 42268-57-5), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate
Property Insights of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate
The XLogP value of 2.092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate. Following Lipinski's Rule of Five, methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate 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 methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate?
The CAS number of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate is 42268-57-5.
What is the molecular formula of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate?
The molecular formula of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate is C14H12N2O5.
What is the molecular weight of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate?
The molecular weight of methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate is 288.07 g/mol.
Where can I buy methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate?
You can request a quote for methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (Z)-3-(1-acetylindol-3-yl)-2-nitroprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.