(E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate
TL;DR: (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate (CAS 79246-44-9) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate
Also Known As: (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate, BAS 00287201, ethyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate, ethyl (2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoate, F1305-0190
| Molecular Formula | C21H18N2O2 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 4.15968 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.13684 |
| Heavy Atoms | 25 |
| Complexity | 962.4748 |
Chemical Identifiers
| CAS Number | 79246-44-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)/C#N |
Product Overview
(E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate (CAS 79246-44-9), with molecular formula C21H18N2O2 and molecular weight 330.14 g/mol. IUPAC: ethyl (E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate
Property Insights of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate
The XLogP value of 4.15968 indicates that (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.02 Ų, (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate has 0 hydrogen bond donor(s) and 3 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 (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate?
The CAS number of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate is 79246-44-9.
What is the molecular formula of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate?
The molecular formula of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate is C21H18N2O2.
What is the molecular weight of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate?
The molecular weight of (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate is 330.14 g/mol.
Where can I buy (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate?
You can request a quote for (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.