(E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate
TL;DR: (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate (CAS 374541-67-0) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate
Also Known As: (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate, propan-2-yl (2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)prop-2-enoate, propan-2-yl (E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate, F1305-0186, methylethyl (2E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.03688 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 717.6424 |
Chemical Identifiers
| CAS Number | 374541-67-0 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C)/C#N |
Product Overview
(E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate (CAS 374541-67-0), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: propan-2-yl (E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoate.
Chemical Property Profile of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate
Property Insights of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate
The XLogP value of 3.03688 indicates that (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate 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)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate 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)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate?
The CAS number of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate is 374541-67-0.
What is the molecular formula of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate?
The molecular formula of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate is C16H16N2O2.
What is the molecular weight of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate?
The molecular weight of (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate is 268.12 g/mol.
Where can I buy (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate?
You can request a quote for (E)-isopropyl 2-cyano-3-(1-methyl-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)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-isopropyl 2-cyano-3-(1-methyl-1H-indol-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.