2,3-Dimethylindole-1-carbonitrile
TL;DR: 2,3-Dimethylindole-1-carbonitrile (CAS 130519-81-2) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylindole-1-carbonitrile
Also Known As: 2,3-dimethylindole-1-carbonitrile, 2,3-Dimethyl-indole-1-carbonitrile, 2,5,8-Nonanetrione,3,3,7,7-tetramethyl
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.58732 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 500.52002 |
Chemical Identifiers
| CAS Number | 130519-81-2 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C#N)C |
Product Overview
2,3-Dimethylindole-1-carbonitrile (CAS 130519-81-2), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 2,3-dimethylindole-1-carbonitrile.
Chemical Property Profile of 2,3-Dimethylindole-1-carbonitrile
Property Insights of 2,3-Dimethylindole-1-carbonitrile
The XLogP value of 2.58732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylindole-1-carbonitrile. With a topological polar surface area (TPSA) of 28.72 Ų, 2,3-Dimethylindole-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylindole-1-carbonitrile 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 2,3-Dimethylindole-1-carbonitrile?
The CAS number of 2,3-Dimethylindole-1-carbonitrile is 130519-81-2.
What is the molecular formula of 2,3-Dimethylindole-1-carbonitrile?
The molecular formula of 2,3-Dimethylindole-1-carbonitrile is C11H10N2.
What is the molecular weight of 2,3-Dimethylindole-1-carbonitrile?
The molecular weight of 2,3-Dimethylindole-1-carbonitrile is 170.08 g/mol.
Where can I buy 2,3-Dimethylindole-1-carbonitrile?
You can request a quote for 2,3-Dimethylindole-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylindole-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylindole-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.