2-(2-methyl-1H-indol-4-yl)propanedinitrile
TL;DR: 2-(2-methyl-1H-indol-4-yl)propanedinitrile (CAS 458530-62-6) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1H-indol-4-yl)propanedinitrile
Also Known As: 2-(2-methyl-1H-indol-4-yl)propanedinitrile, Propanedinitrile, 2-(2-methyl-1H-indol-4-yl)-
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 2.60708 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 566.9135 |
Chemical Identifiers
| CAS Number | 458530-62-6 |
|---|---|
| SMILES | CC1=CC2=C(C=CC=C2N1)C(C#N)C#N |
Product Overview
2-(2-methyl-1H-indol-4-yl)propanedinitrile (CAS 458530-62-6), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 2-(2-methyl-1H-indol-4-yl)propanedinitrile.
Chemical Property Profile of 2-(2-methyl-1H-indol-4-yl)propanedinitrile
Property Insights of 2-(2-methyl-1H-indol-4-yl)propanedinitrile
The XLogP value of 2.60708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-1H-indol-4-yl)propanedinitrile. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methyl-1H-indol-4-yl)propanedinitrile. Following Lipinski's Rule of Five, 2-(2-methyl-1H-indol-4-yl)propanedinitrile 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 2-(2-methyl-1H-indol-4-yl)propanedinitrile?
The CAS number of 2-(2-methyl-1H-indol-4-yl)propanedinitrile is 458530-62-6.
What is the molecular formula of 2-(2-methyl-1H-indol-4-yl)propanedinitrile?
The molecular formula of 2-(2-methyl-1H-indol-4-yl)propanedinitrile is C12H9N3.
What is the molecular weight of 2-(2-methyl-1H-indol-4-yl)propanedinitrile?
The molecular weight of 2-(2-methyl-1H-indol-4-yl)propanedinitrile is 195.08 g/mol.
Where can I buy 2-(2-methyl-1H-indol-4-yl)propanedinitrile?
You can request a quote for 2-(2-methyl-1H-indol-4-yl)propanedinitrile 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-4-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-1H-indol-4-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.