5-Bromo-6-chloro-3-indolyl caprylate
TL;DR: 5-Bromo-6-chloro-3-indolyl caprylate (CAS 209347-94-4) is a chemical compound with molecular formula C16H19BrClNO2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-6-chloro-1H-indol-3-yl) octanoate
Also Known As: 5-Bromo-6-chloro-3-indolyl caprylate, Magenta caprylate, Magenta-caprylate, 5-Bromo-6-chloro-1H-indol-3-yl octanoate, (5-bromo-6-chloro-1H-indol-3-yl) Octanoate
| Molecular Formula | C16H19BrClNO2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 5.8497 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.02878 |
| Heavy Atoms | 21 |
| Complexity | 624.00964 |
Chemical Identifiers
| CAS Number | 209347-94-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CNC2=CC(=C(C=C21)Br)Cl |
Product Overview
5-Bromo-6-chloro-3-indolyl caprylate (CAS 209347-94-4), with molecular formula C16H19BrClNO2 and molecular weight 371.03 g/mol. IUPAC: (5-bromo-6-chloro-1H-indol-3-yl) octanoate.
Chemical Property Profile of 5-Bromo-6-chloro-3-indolyl caprylate
Property Insights of 5-Bromo-6-chloro-3-indolyl caprylate
The XLogP value of 5.8497 indicates that 5-Bromo-6-chloro-3-indolyl caprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 5-Bromo-6-chloro-3-indolyl caprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-chloro-3-indolyl caprylate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-6-chloro-3-indolyl caprylate?
The CAS number of 5-Bromo-6-chloro-3-indolyl caprylate is 209347-94-4.
What is the molecular formula of 5-Bromo-6-chloro-3-indolyl caprylate?
The molecular formula of 5-Bromo-6-chloro-3-indolyl caprylate is C16H19BrClNO2.
What is the molecular weight of 5-Bromo-6-chloro-3-indolyl caprylate?
The molecular weight of 5-Bromo-6-chloro-3-indolyl caprylate is 371.03 g/mol.
Where can I buy 5-Bromo-6-chloro-3-indolyl caprylate?
You can request a quote for 5-Bromo-6-chloro-3-indolyl caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-chloro-3-indolyl caprylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-chloro-3-indolyl caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.