2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde
TL;DR: 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde (CAS 588670-57-9) is a chemical compound with molecular formula C13H14FNO and molecular weight 219.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde
Also Known As: 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde, 2-(tert-Butyl)-5-fluoro-1H-indole-3-carbaldehyde, AB01333083-02
| Molecular Formula | C13H14FNO |
|---|---|
| Molecular Weight | 219.11 g/mol |
| LogP | 3.417 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.10594 |
| Heavy Atoms | 16 |
| Complexity | 548.79333 |
Chemical Identifiers
| CAS Number | 588670-57-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C2=C(N1)C=CC(=C2)F)C=O |
Product Overview
2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde (CAS 588670-57-9), with molecular formula C13H14FNO and molecular weight 219.11 g/mol. IUPAC: 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde.
Chemical Property Profile of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde
Property Insights of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde
The XLogP value of 3.417 indicates that 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde has 1 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 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde?
The CAS number of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde is 588670-57-9.
What is the molecular formula of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde?
The molecular formula of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde is C13H14FNO.
What is the molecular weight of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde?
The molecular weight of 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde is 219.11 g/mol.
Where can I buy 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde?
You can request a quote for 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5-fluoro-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.