5-Bromo-6-chloro-1H-indol-3-yl acetate
TL;DR: 5-Bromo-6-chloro-1H-indol-3-yl acetate (CAS 102185-48-8) is a chemical compound with molecular formula C10H7BrClNO2 and molecular weight 286.93 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) acetate
Also Known As: 5-Bromo-6-chloro-1H-indol-3-yl acetate, 5-Bromo-6-chloro-3-indoxyl-3-acetate, (5-bromo-6-chloro-1H-indol-3-yl) acetate, 5-BROMO-6-CHLORO-3-INDOLYL ACETATE, 1H-Indol-3-ol, 5-bromo-6-chloro-, 3-acetate
| Molecular Formula | C10H7BrClNO2 |
|---|---|
| Molecular Weight | 286.93 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.93488 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 102185-48-8 |
|---|---|
| SMILES | CC(=O)OC1=CNC2=CC(=C(C=C21)Br)Cl |
| InChIKey | ZGNSHSQWMJVXLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-6-chloro-1H-indol-3-yl acetate (CAS 102185-48-8), with molecular formula C10H7BrClNO2 and molecular weight 286.93 g/mol. IUPAC: (5-bromo-6-chloro-1H-indol-3-yl) acetate.
Chemical Property Profile of 5-Bromo-6-chloro-1H-indol-3-yl acetate
Property Insights of 5-Bromo-6-chloro-1H-indol-3-yl acetate
The XLogP value of 3.1 indicates that 5-Bromo-6-chloro-1H-indol-3-yl acetate 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-6-chloro-1H-indol-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-chloro-1H-indol-3-yl acetate has 1 hydrogen bond donor(s) and 2 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 5-Bromo-6-chloro-1H-indol-3-yl acetate?
The CAS number of 5-Bromo-6-chloro-1H-indol-3-yl acetate is 102185-48-8.
What is the molecular formula of 5-Bromo-6-chloro-1H-indol-3-yl acetate?
The molecular formula of 5-Bromo-6-chloro-1H-indol-3-yl acetate is C10H7BrClNO2.
What is the molecular weight of 5-Bromo-6-chloro-1H-indol-3-yl acetate?
The molecular weight of 5-Bromo-6-chloro-1H-indol-3-yl acetate is 286.93 g/mol.
Where can I buy 5-Bromo-6-chloro-1H-indol-3-yl acetate?
You can request a quote for 5-Bromo-6-chloro-1H-indol-3-yl acetate 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-1H-indol-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-chloro-1H-indol-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.