4,5,6,7-Tetrahydroindole
TL;DR: 4,5,6,7-Tetrahydroindole (CAS 13618-91-2) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1H-indole
Also Known As: 4,5,6,7-Tetrahydro-1H-indole, 4,5,6,7-Tetrahydroindole, Cyclohex[b]pyrrole, 2,3-Tetramethylenepyrrole, 1H-Indole, 4,5,6,7-tetrahydro-
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 13618-91-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CN2 |
| InChIKey | KQBVVLOYXDVATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-Tetrahydroindole (CAS 13618-91-2), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: 4,5,6,7-tetrahydro-1H-indole.
Chemical Property Profile of 4,5,6,7-Tetrahydroindole
Property Insights of 4,5,6,7-Tetrahydroindole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydroindole. With a topological polar surface area (TPSA) of 15.8 Ų, 4,5,6,7-Tetrahydroindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydroindole 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 4,5,6,7-Tetrahydroindole?
The CAS number of 4,5,6,7-Tetrahydroindole is 13618-91-2.
What is the molecular formula of 4,5,6,7-Tetrahydroindole?
The molecular formula of 4,5,6,7-Tetrahydroindole is C8H11N.
What is the molecular weight of 4,5,6,7-Tetrahydroindole?
The molecular weight of 4,5,6,7-Tetrahydroindole is 121.09 g/mol.
Where can I buy 4,5,6,7-Tetrahydroindole?
You can request a quote for 4,5,6,7-Tetrahydroindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydroindole?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydroindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.