2-(2-methyl-1H-indol-3-yl)acetonitrile
TL;DR: 2-(2-methyl-1H-indol-3-yl)acetonitrile (CAS 4071-16-3) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1H-indol-3-yl)acetonitrile
Also Known As: 2-(2-methyl-1H-indol-3-yl)acetonitrile, Maybridge3_000566, 2-methyl-3-indolylacetenitrile, 1H-Indole-3-acetonitrile, 2-methyl-, (2-Methyl-1H-indol-3-yl)acetonitrile
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.5424 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 474.2862 |
Chemical Identifiers
| CAS Number | 4071-16-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CC#N |
Product Overview
2-(2-methyl-1H-indol-3-yl)acetonitrile (CAS 4071-16-3), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 2-(2-methyl-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-(2-methyl-1H-indol-3-yl)acetonitrile
Property Insights of 2-(2-methyl-1H-indol-3-yl)acetonitrile
The XLogP value of 2.5424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-1H-indol-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 2-(2-methyl-1H-indol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methyl-1H-indol-3-yl)acetonitrile has 1 hydrogen bond donor(s) and 1 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-(2-methyl-1H-indol-3-yl)acetonitrile?
The CAS number of 2-(2-methyl-1H-indol-3-yl)acetonitrile is 4071-16-3.
What is the molecular formula of 2-(2-methyl-1H-indol-3-yl)acetonitrile?
The molecular formula of 2-(2-methyl-1H-indol-3-yl)acetonitrile is C11H10N2.
What is the molecular weight of 2-(2-methyl-1H-indol-3-yl)acetonitrile?
The molecular weight of 2-(2-methyl-1H-indol-3-yl)acetonitrile is 170.08 g/mol.
Where can I buy 2-(2-methyl-1H-indol-3-yl)acetonitrile?
You can request a quote for 2-(2-methyl-1H-indol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-1H-indol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.