1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-
TL;DR: 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- (CAS 55955-58-3) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-2,3-dihydroindole
Also Known As: 1-Sec-butylindoline, 1-Sec-butylindoline #, 1-sec-butyl-2,3-dihydro-indole, 2,3-Dihydro-1- -1H-indole, 1-butan-2-yl-2,3-dihydroindole
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 55955-58-3 |
|---|---|
| SMILES | CCC(C)N1CCC2=CC=CC=C21 |
| InChIKey | KQIOVDVVDBJGQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- (CAS 55955-58-3), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 1-butan-2-yl-2,3-dihydroindole.
Chemical Property Profile of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-
Property Insights of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-
The XLogP value of 3.4 indicates that 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- 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 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-?
The CAS number of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- is 55955-58-3.
What is the molecular formula of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-?
The molecular formula of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- is C12H17N.
What is the molecular weight of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-?
The molecular weight of 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- is 175.14 g/mol.
Where can I buy 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-?
You can request a quote for 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 2,3-dihydro-1-(1-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.