1,2-Dimethyl-1H-indole-3-carbonitrile
TL;DR: 1,2-Dimethyl-1H-indole-3-carbonitrile (CAS 99764-73-5) 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.
1,2-dimethylindole-3-carbonitrile
Also Known As: 1,2-Dimethyl-1H-indole-3-carbonitrile, 1,2-dimethylindole-3-carbonitrile, 3-cyano-1,2-dimethylindole, 1H-Indole-3-carbonitrile, 1,2-dimethyl-, Bis-(2-chloroethyl)methylamine
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 99764-73-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C#N |
| InChIKey | QWHVKHABWPGMGT-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl-1H-indole-3-carbonitrile (CAS 99764-73-5), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 1,2-dimethylindole-3-carbonitrile.
Chemical Property Profile of 1,2-Dimethyl-1H-indole-3-carbonitrile
Property Insights of 1,2-Dimethyl-1H-indole-3-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-1H-indole-3-carbonitrile. With a topological polar surface area (TPSA) of 28.7 Ų, 1,2-Dimethyl-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-1H-indole-3-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 1,2-Dimethyl-1H-indole-3-carbonitrile?
The CAS number of 1,2-Dimethyl-1H-indole-3-carbonitrile is 99764-73-5.
What is the molecular formula of 1,2-Dimethyl-1H-indole-3-carbonitrile?
The molecular formula of 1,2-Dimethyl-1H-indole-3-carbonitrile is C11H10N2.
What is the molecular weight of 1,2-Dimethyl-1H-indole-3-carbonitrile?
The molecular weight of 1,2-Dimethyl-1H-indole-3-carbonitrile is 170.08 g/mol.
Where can I buy 1,2-Dimethyl-1H-indole-3-carbonitrile?
You can request a quote for 1,2-Dimethyl-1H-indole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-1H-indole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.