2,5-ditert-butyl-1H-indole
TL;DR: 2,5-ditert-butyl-1H-indole (CAS 900640-46-2) is a chemical compound with molecular formula C16H23N and molecular weight 229.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butyl-1H-indole
Also Known As: 2,5-ditert-butyl-1H-indole, 2,5-di-tert-butyl-1H-indole, 2,5-di(tert-butyl)-1H-indole, 2,5-Bis(1,1-dimethylethyl)-1H-indole
| Molecular Formula | C16H23N |
|---|---|
| Molecular Weight | 229.18 g/mol |
| LogP | 4.7629 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.18304 |
| Heavy Atoms | 17 |
| Complexity | 520.63104 |
Chemical Identifiers
| CAS Number | 900640-46-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)NC(=C2)C(C)(C)C |
Product Overview
2,5-ditert-butyl-1H-indole (CAS 900640-46-2), with molecular formula C16H23N and molecular weight 229.18 g/mol. IUPAC: 2,5-ditert-butyl-1H-indole.
Chemical Property Profile of 2,5-ditert-butyl-1H-indole
Property Insights of 2,5-ditert-butyl-1H-indole
The XLogP value of 4.7629 indicates that 2,5-ditert-butyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 2,5-ditert-butyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-ditert-butyl-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-ditert-butyl-1H-indole?
The CAS number of 2,5-ditert-butyl-1H-indole is 900640-46-2.
What is the molecular formula of 2,5-ditert-butyl-1H-indole?
The molecular formula of 2,5-ditert-butyl-1H-indole is C16H23N.
What is the molecular weight of 2,5-ditert-butyl-1H-indole?
The molecular weight of 2,5-ditert-butyl-1H-indole is 229.18 g/mol.
Where can I buy 2,5-ditert-butyl-1H-indole?
You can request a quote for 2,5-ditert-butyl-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-ditert-butyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-ditert-butyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.