![(2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid structure](/static/products/7902/790271-01-1.webp)
(2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid
TL;DR: (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid (CAS 790271-01-1) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid
Also Known As: (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]acrylic acid, 3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid, (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid, (2e)-3-[1-(2-cyanoethyl)-1h-indol-3-yl]prop-2-enoic acid, 3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic Acid
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.65278 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 647.348 |
Chemical Identifiers
| CAS Number | 790271-01-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)O |
Product Overview
(2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid (CAS 790271-01-1), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid
Property Insights of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid
The XLogP value of 2.65278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid?
The CAS number of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid is 790271-01-1.
What is the molecular formula of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid?
The molecular formula of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid is C14H12N2O2.
What is the molecular weight of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid?
The molecular weight of (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid is 240.09 g/mol.
Where can I buy (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid?
You can request a quote for (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[1-(2-cyanoethyl)-1H-indol-3-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.