3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile
TL;DR: 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile (CAS 34023-76-2) is a chemical compound with molecular formula C18H12N2O and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3-(1H-indol-3-yl)prop-2-enenitrile
Also Known As: 3-INDOL-3-YL-2-(PHENYLCARBONYL)PROP-2-ENENITRILE, 2-benzoyl-3-(1H-indol-3-yl)prop-2-enenitrile, (2E)-2-[(E)-benzoyl]-3-(1H-indol-3-yl)prop-2-enenitrile
| Molecular Formula | C18H12N2O |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.95778 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09497 |
| Heavy Atoms | 21 |
| Complexity | 866.87463 |
Chemical Identifiers
| CAS Number | 34023-76-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CNC3=CC=CC=C32)C#N |
Product Overview
3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile (CAS 34023-76-2), with molecular formula C18H12N2O and molecular weight 272.09 g/mol. IUPAC: 2-benzoyl-3-(1H-indol-3-yl)prop-2-enenitrile.
Chemical Property Profile of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile
Property Insights of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile
The XLogP value of 3.95778 indicates that 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.65 Ų, 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile 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 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile?
The CAS number of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile is 34023-76-2.
What is the molecular formula of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular formula of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile is C18H12N2O.
What is the molecular weight of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile?
The molecular weight of 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile is 272.09 g/mol.
Where can I buy 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile?
You can request a quote for 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Indol-3-YL-2-(phenylcarbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.