2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-
TL;DR: 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- (CAS 56396-35-1) is a chemical compound with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Also Known As: 2-Cyano-3-(1-phenylindol-3-yl)acrylate, UK 5099, 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid, 2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid, 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-
| Molecular Formula | C18H12N2O2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.62208 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.08987 |
| Heavy Atoms | 22 |
| Complexity | 915.1602 |
Chemical Identifiers
| CAS Number | 56396-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O |
Product Overview
2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- (CAS 56396-35-1), with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol. IUPAC: 2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-
Property Insights of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-
The XLogP value of 3.62208 indicates that 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- 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 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-?
The CAS number of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- is 56396-35-1.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- is C18H12N2O2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- is 288.09 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.