2,5-Dimethyl-1H-indole
TL;DR: 2,5-Dimethyl-1H-indole (CAS 1196-79-8) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1H-indole
Also Known As: 2,5-Dimethyl-1H-indole, 2,5-Dimethylindole, 1H-Indole, 2,5-dimethyl-, Indole, 2,5-dimethyl-, 2-Phenylbutanenitrile
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 1196-79-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2)C |
| InChIKey | ZFLFWZRPMDXJCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-1H-indole (CAS 1196-79-8), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 2,5-dimethyl-1H-indole.
Chemical Property Profile of 2,5-Dimethyl-1H-indole
Property Insights of 2,5-Dimethyl-1H-indole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1H-indole. With a topological polar surface area (TPSA) of 15.8 Ų, 2,5-Dimethyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1H-indole has 1 hydrogen bond donor(s) and 0 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 2,5-Dimethyl-1H-indole?
The CAS number of 2,5-Dimethyl-1H-indole is 1196-79-8.
What is the molecular formula of 2,5-Dimethyl-1H-indole?
The molecular formula of 2,5-Dimethyl-1H-indole is C10H11N.
What is the molecular weight of 2,5-Dimethyl-1H-indole?
The molecular weight of 2,5-Dimethyl-1H-indole is 145.09 g/mol.
Where can I buy 2,5-Dimethyl-1H-indole?
You can request a quote for 2,5-Dimethyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.