7-Methoxyindole-3-acetonitrile
TL;DR: 7-Methoxyindole-3-acetonitrile (CAS 2436-18-2) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-methoxy-1H-indol-3-yl)acetonitrile
Also Known As: 7-Methoxyindole-3-acetonitrile, 2-(7-methoxy-1H-indol-3-yl)acetonitrile, 3-Cyanmethyl-7-methoxy-indol, 3-Indoleacetonitrile, 7-methoxy-, (7-Methoxy-1H-indol-3-yl)acetonitrile
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 2436-18-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1NC=C2CC#N |
| InChIKey | VESSMVSYPZPDMA-UHFFFAOYSA-N |
Product Overview
7-Methoxyindole-3-acetonitrile (CAS 2436-18-2), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 2-(7-methoxy-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 7-Methoxyindole-3-acetonitrile
Property Insights of 7-Methoxyindole-3-acetonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxyindole-3-acetonitrile. With a topological polar surface area (TPSA) of 48.8 Ų, 7-Methoxyindole-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxyindole-3-acetonitrile 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 7-Methoxyindole-3-acetonitrile?
The CAS number of 7-Methoxyindole-3-acetonitrile is 2436-18-2.
What is the molecular formula of 7-Methoxyindole-3-acetonitrile?
The molecular formula of 7-Methoxyindole-3-acetonitrile is C11H10N2O.
What is the molecular weight of 7-Methoxyindole-3-acetonitrile?
The molecular weight of 7-Methoxyindole-3-acetonitrile is 186.08 g/mol.
Where can I buy 7-Methoxyindole-3-acetonitrile?
You can request a quote for 7-Methoxyindole-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxyindole-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxyindole-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.