2,3,3-Trimethyl-3h-indole5-carbonitrile
TL;DR: 2,3,3-Trimethyl-3h-indole5-carbonitrile (CAS 100362-83-2) 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.
2,3,3-trimethylindole-5-carbonitrile
Also Known As: 5-cyano-2,3,3-trimethyl-3H-indole, 2,3,3-trimethylindole-5-carbonitrile, 2,3,3-trimethyl-3h-indole5-carbonitrile, 2,3,3-Trimethyl-3H-indole-5-carbonitrile, J3.116.517B
| Molecular Formula | C12H12N2 |
|---|---|
| Molecular Weight | 184.10 g/mol |
| LogP | 2.94188 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.10005 |
| Heavy Atoms | 14 |
| Complexity | 461.70035 |
Chemical Identifiers
| CAS Number | 100362-83-2 |
|---|---|
| SMILES | CC1=NC2=C(C1(C)C)C=C(C=C2)C#N |
Product Overview
2,3,3-Trimethyl-3h-indole5-carbonitrile (CAS 100362-83-2), with molecular formula C12H12N2 and molecular weight 184.10 g/mol. IUPAC: 2,3,3-trimethylindole-5-carbonitrile.
Chemical Property Profile of 2,3,3-Trimethyl-3h-indole5-carbonitrile
Property Insights of 2,3,3-Trimethyl-3h-indole5-carbonitrile
The XLogP value of 2.94188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3-Trimethyl-3h-indole5-carbonitrile. With a topological polar surface area (TPSA) of 36.15 Ų, 2,3,3-Trimethyl-3h-indole5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trimethyl-3h-indole5-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 2,3,3-Trimethyl-3h-indole5-carbonitrile?
The CAS number of 2,3,3-Trimethyl-3h-indole5-carbonitrile is 100362-83-2.
What is the molecular formula of 2,3,3-Trimethyl-3h-indole5-carbonitrile?
The molecular formula of 2,3,3-Trimethyl-3h-indole5-carbonitrile is C12H12N2.
What is the molecular weight of 2,3,3-Trimethyl-3h-indole5-carbonitrile?
The molecular weight of 2,3,3-Trimethyl-3h-indole5-carbonitrile is 184.10 g/mol.
Where can I buy 2,3,3-Trimethyl-3h-indole5-carbonitrile?
You can request a quote for 2,3,3-Trimethyl-3h-indole5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-Trimethyl-3h-indole5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trimethyl-3h-indole5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.