5-bromo-4-chloro-1H-indol-3-yl octanoate
TL;DR: 5-bromo-4-chloro-1H-indol-3-yl octanoate (CAS 129541-42-0) is a chemical compound with molecular formula C16H19BrClNO2 and molecular weight 371.02878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-bromo-4-chloro-1H-indol-3-yl) octanoate
Also Known As: 5-Bromo-4-chloro-3-indolyl caprylate, X-Caprylate, (5-bromo-4-chloro-1H-indol-3-yl) Octanoate, 5-Bromo-4-chloro-3-indolyl octanoate, 5-bromo-4-chloro-1H-indol-3-yl octanoate
Technical Specifications
| Molecular Formula | C16H19BrClNO2 |
| Molecular Weight | 371.02878 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.02878 Da |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
| SMILES | CCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl |
| InChIKey | QTWMXGHFXBQNEJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-bromo-4-chloro-1H-indol-3-yl octanoate
Property Insights of 5-bromo-4-chloro-1H-indol-3-yl octanoate
The XLogP value of 6.1 indicates that 5-bromo-4-chloro-1H-indol-3-yl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 5-bromo-4-chloro-1H-indol-3-yl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-4-chloro-1H-indol-3-yl octanoate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 5-bromo-4-chloro-1H-indol-3-yl octanoate?
The CAS number of 5-bromo-4-chloro-1H-indol-3-yl octanoate is 129541-42-0.
What is the molecular formula of 5-bromo-4-chloro-1H-indol-3-yl octanoate?
The molecular formula of 5-bromo-4-chloro-1H-indol-3-yl octanoate is C16H19BrClNO2.
What is the molecular weight of 5-bromo-4-chloro-1H-indol-3-yl octanoate?
The molecular weight of 5-bromo-4-chloro-1H-indol-3-yl octanoate is 371.02878 g/mol.
Where can I buy 5-bromo-4-chloro-1H-indol-3-yl octanoate?
You can request a quote for 5-bromo-4-chloro-1H-indol-3-yl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-bromo-4-chloro-1H-indol-3-yl octanoate?
Yes, CoreyChem provides custom synthesis services for 5-bromo-4-chloro-1H-indol-3-yl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.