3-(3-Methyl-1H-indol-1-yl)propanenitrile
TL;DR: 3-(3-Methyl-1H-indol-1-yl)propanenitrile (CAS 4414-81-7) is a chemical compound with molecular formula C12H12N2 and molecular weight 184.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylindol-1-yl)propanenitrile
Also Known As: 3-(3-Methyl-1H-indol-1-yl)propanenitrile, 3- propanenitrile, 3-(3-methylindol-1-yl)propanenitrile, Maybridge1_007348, EPIANDROSTERONEACETATE
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.8634 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 488.4813 |
Chemical Identifiers
| CAS Number | 4414-81-7 |
|---|---|
| SMILES | CC1=CN(C2=CC=CC=C12)CCC#N |
Product Overview
3-(3-Methyl-1H-indol-1-yl)propanenitrile (CAS 4414-81-7), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 3-(3-methylindol-1-yl)propanenitrile.
Chemical Property Profile of 3-(3-Methyl-1H-indol-1-yl)propanenitrile
Property Insights of 3-(3-Methyl-1H-indol-1-yl)propanenitrile
The XLogP value of 2.8634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methyl-1H-indol-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 3-(3-Methyl-1H-indol-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methyl-1H-indol-1-yl)propanenitrile 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 3-(3-Methyl-1H-indol-1-yl)propanenitrile?
The CAS number of 3-(3-Methyl-1H-indol-1-yl)propanenitrile is 4414-81-7.
What is the molecular formula of 3-(3-Methyl-1H-indol-1-yl)propanenitrile?
The molecular formula of 3-(3-Methyl-1H-indol-1-yl)propanenitrile is C12H12N2.
What is the molecular weight of 3-(3-Methyl-1H-indol-1-yl)propanenitrile?
The molecular weight of 3-(3-Methyl-1H-indol-1-yl)propanenitrile is 184.10 g/mol.
Where can I buy 3-(3-Methyl-1H-indol-1-yl)propanenitrile?
You can request a quote for 3-(3-Methyl-1H-indol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methyl-1H-indol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-1H-indol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.