1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-
TL;DR: 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- (CAS 41450-77-5) is a chemical compound with molecular formula C18H14N2O and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-formyl-2-phenylindol-1-yl)propanenitrile
Also Known As: 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-, 3-Formyl-2-phenyl-1H-indole-1-propiononitrile, 3-(3-formyl-2-phenyl-1H-indol-1-yl)propanenitrile, 1-(2-Cyanoethyl)-2-phenylindole-3-carboxyaldehyde, 3-(3-formyl-2-phenylindol-1-yl)propanenitrile
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 41450-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC#N)C=O |
| InChIKey | SUPYBCMCZGDUBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- (CAS 41450-77-5), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 3-(3-formyl-2-phenylindol-1-yl)propanenitrile.
Chemical Property Profile of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-
Property Insights of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-. With a topological polar surface area (TPSA) of 45.8 Ų, 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- has 0 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 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-?
The CAS number of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- is 41450-77-5.
What is the molecular formula of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-?
The molecular formula of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- is C18H14N2O.
What is the molecular weight of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-?
The molecular weight of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- is 274.11 g/mol.
Where can I buy 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-?
You can request a quote for 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.