ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
TL;DR: ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate (CAS 6050-90-4) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
Also Known As: BIM-0049889.P001, ethyl 3-[3-(acetyloxy)-1H-indol-2-yl]-2-cyanoacrylate, ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate, ethyl (2E)-3-(3-acetyloxyindol-2-yl)-2-cyanoprop-2-enoate, ETHYL (2E)-3-[3-(ACETYLOXY)-1H-INDOL-2-YL]-2-CYANOPROP-2-ENOATE
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.56328 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 796.069 |
Chemical Identifiers
| CAS Number | 6050-90-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(C2=CC=CC=C2N1)OC(=O)C)/C#N |
Product Overview
ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate (CAS 6050-90-4), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
Property Insights of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
The XLogP value of 2.56328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate has 1 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 (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate?
The CAS number of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate is 6050-90-4.
What is the molecular formula of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate?
The molecular formula of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate is C16H14N2O4.
What is the molecular weight of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate?
The molecular weight of ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate is 298.10 g/mol.
Where can I buy ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate?
You can request a quote for ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.