1-Butylindoline
TL;DR: 1-Butylindoline (CAS 5876-10-8) 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-butyl-2,3-dihydroindole
Also Known As: 1-butylindoline, butylindoline, 1-butyl-2,3-dihydro-1h-indole, 1-butyl-2,3-dihydroindole, N-n-butyl-2,3-dihydroindole
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.8492 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 280.2079 |
Chemical Identifiers
| CAS Number | 5876-10-8 |
|---|---|
| SMILES | CCCCN1CCC2=CC=CC=C21 |
Product Overview
1-Butylindoline (CAS 5876-10-8), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 1-butyl-2,3-dihydroindole.
Chemical Property Profile of 1-Butylindoline
Property Insights of 1-Butylindoline
The XLogP value of 2.8492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylindoline. With a topological polar surface area (TPSA) of 3.24 Ų, 1-Butylindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylindoline 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-Butylindoline?
The CAS number of 1-Butylindoline is 5876-10-8.
What is the molecular formula of 1-Butylindoline?
The molecular formula of 1-Butylindoline is C12H17N.
What is the molecular weight of 1-Butylindoline?
The molecular weight of 1-Butylindoline is 175.14 g/mol.
Where can I buy 1-Butylindoline?
You can request a quote for 1-Butylindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.