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2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile
TL;DR: 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile (CAS 329061-80-5) 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.
2-[(3-formyl-2-methylindol-1-yl)methyl]benzonitrile
Also Known As: starbld0035589, ASISCHEM R43848, 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile, 2-((3-Formyl-2-methyl-1H-indol-1-yl)methyl)benzonitrile, 2-[(3-formyl-2-methylindol-1-yl)methyl]benzonitrile
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 329061-80-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3C#N)C=O |
| InChIKey | OPEPAIZPIKBYMY-UHFFFAOYSA-N |
Product Overview
2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile (CAS 329061-80-5), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 2-[(3-formyl-2-methylindol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile
Property Insights of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile
The XLogP value of 3.2 indicates that 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile 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 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile?
The CAS number of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile is 329061-80-5.
What is the molecular formula of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile?
The molecular formula of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile is C18H14N2O.
What is the molecular weight of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile?
The molecular weight of 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile is 274.11 g/mol.
Where can I buy 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile?
You can request a quote for 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-formyl-2-methyl-1H-indol-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.