(E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate
TL;DR: (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate (CAS 327076-75-5) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate, 3-methylbutyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 3.66418 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 704.89355 |
Chemical Identifiers
| CAS Number | 327076-75-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N |
Product Overview
(E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate (CAS 327076-75-5), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: 3-methylbutyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate.
Chemical Property Profile of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate
Property Insights of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate
The XLogP value of 3.66418 indicates that (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate. Following Lipinski's Rule of Five, (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate has 1 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)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The CAS number of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate is 327076-75-5.
What is the molecular formula of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The molecular formula of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate is C17H18N2O2.
What is the molecular weight of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate?
The molecular weight of (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate is 282.14 g/mol.
Where can I buy (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate?
You can request a quote for (E)-isopentyl 2-cyano-3-(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 (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-isopentyl 2-cyano-3-(1H-indol-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.