(3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile
TL;DR: (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile (CAS 429689-24-7) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylindol-3-yl)butanenitrile
Also Known As: 3-(1-methylindol-3-yl)butanenitrile, (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile, (3S)-(-)-3-(1-Methyl-1H-indol-3-yl)butanenitrile, (R)-3-(1-Methyl-1H-indol-3-yl)butanenitrile, (3R)-(+)-3-(1-Methyl-1H-indol-3-yl)butanenitrile
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 3.19548 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 516.8057 |
Chemical Identifiers
| CAS Number | 429689-24-7 |
|---|---|
| SMILES | CC(CC#N)C1=CN(C2=CC=CC=C21)C |
Product Overview
(3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile (CAS 429689-24-7), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 3-(1-methylindol-3-yl)butanenitrile.
Chemical Property Profile of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile
Property Insights of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile
The XLogP value of 3.19548 indicates that (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.72 Ų, (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile has 0 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 (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile?
The CAS number of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile is 429689-24-7.
What is the molecular formula of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile?
The molecular formula of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile is C13H14N2.
What is the molecular weight of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile?
The molecular weight of (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile is 198.12 g/mol.
Where can I buy (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile?
You can request a quote for (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (3R)-3-(1-methyl-1H-indol-3-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.