3-(2-methyl-1H-indol-3-yl)propanenitrile
TL;DR: 3-(2-methyl-1H-indol-3-yl)propanenitrile (CAS 1079-30-7) 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-(2-methyl-1H-indol-3-yl)propanenitrile
Also Known As: 3-(2-methyl-1H-indol-3-yl)propanenitrile, Maybridge1_002387, 3-cyanoethyl-2-methylindole, DivK1c_001139, 1H-Indole-3-propanenitrile, 2-methyl-
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.9325 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 488.4813 |
Chemical Identifiers
| CAS Number | 1079-30-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CCC#N |
Product Overview
3-(2-methyl-1H-indol-3-yl)propanenitrile (CAS 1079-30-7), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 3-(2-methyl-1H-indol-3-yl)propanenitrile.
Chemical Property Profile of 3-(2-methyl-1H-indol-3-yl)propanenitrile
Property Insights of 3-(2-methyl-1H-indol-3-yl)propanenitrile
The XLogP value of 2.9325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methyl-1H-indol-3-yl)propanenitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 3-(2-methyl-1H-indol-3-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methyl-1H-indol-3-yl)propanenitrile 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 3-(2-methyl-1H-indol-3-yl)propanenitrile?
The CAS number of 3-(2-methyl-1H-indol-3-yl)propanenitrile is 1079-30-7.
What is the molecular formula of 3-(2-methyl-1H-indol-3-yl)propanenitrile?
The molecular formula of 3-(2-methyl-1H-indol-3-yl)propanenitrile is C12H12N2.
What is the molecular weight of 3-(2-methyl-1H-indol-3-yl)propanenitrile?
The molecular weight of 3-(2-methyl-1H-indol-3-yl)propanenitrile is 184.10 g/mol.
Where can I buy 3-(2-methyl-1H-indol-3-yl)propanenitrile?
You can request a quote for 3-(2-methyl-1H-indol-3-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-(2-methyl-1H-indol-3-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methyl-1H-indol-3-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.