3,3-Dimethylindole-2-carbonitrile
TL;DR: 3,3-Dimethylindole-2-carbonitrile (CAS 99984-56-2) 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.
3,3-dimethylindole-2-carbonitrile
Also Known As: 3,3-dimethylindole-2-carbonitrile, 3,3-Dimethyl-3H-indol-2-carbonitril, 3,3-dimethyl-3H-indole-2-carbonitrile
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.57388 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 421.96158 |
Chemical Identifiers
| CAS Number | 99984-56-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N=C1C#N)C |
Product Overview
3,3-Dimethylindole-2-carbonitrile (CAS 99984-56-2), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 3,3-dimethylindole-2-carbonitrile.
Chemical Property Profile of 3,3-Dimethylindole-2-carbonitrile
Property Insights of 3,3-Dimethylindole-2-carbonitrile
The XLogP value of 2.57388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylindole-2-carbonitrile. With a topological polar surface area (TPSA) of 36.15 Ų, 3,3-Dimethylindole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylindole-2-carbonitrile has 0 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 3,3-Dimethylindole-2-carbonitrile?
The CAS number of 3,3-Dimethylindole-2-carbonitrile is 99984-56-2.
What is the molecular formula of 3,3-Dimethylindole-2-carbonitrile?
The molecular formula of 3,3-Dimethylindole-2-carbonitrile is C11H10N2.
What is the molecular weight of 3,3-Dimethylindole-2-carbonitrile?
The molecular weight of 3,3-Dimethylindole-2-carbonitrile is 170.08 g/mol.
Where can I buy 3,3-Dimethylindole-2-carbonitrile?
You can request a quote for 3,3-Dimethylindole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylindole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylindole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.