5-Bromo-6-chloro-3-indoxyl butyrate
TL;DR: 5-Bromo-6-chloro-3-indoxyl butyrate (CAS 873295-29-5) is a chemical compound with molecular formula C12H11BrClNO2 and molecular weight 314.97 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) butanoate
Also Known As: 5-Bromo-6-chloro-3-indoxyl butyrate, Magenta(tm)-butyrate, (5-bromo-6-chloro-1H-indol-3-yl) butanoate, 5-BROMO-6-CHLORO-3-INDOXYLBUTYRATE, 5816AH
| Molecular Formula | C12H11BrClNO2 |
|---|---|
| Molecular Weight | 314.97 g/mol |
| LogP | 4.2893 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.96616 |
| Heavy Atoms | 17 |
| Complexity | 564.8761 |
Chemical Identifiers
| CAS Number | 873295-29-5 |
|---|---|
| SMILES | CCCC(=O)OC1=CNC2=CC(=C(C=C21)Br)Cl |
Product Overview
5-Bromo-6-chloro-3-indoxyl butyrate (CAS 873295-29-5), with molecular formula C12H11BrClNO2 and molecular weight 314.97 g/mol. IUPAC: (5-bromo-6-chloro-1H-indol-3-yl) butanoate.
Chemical Property Profile of 5-Bromo-6-chloro-3-indoxyl butyrate
Property Insights of 5-Bromo-6-chloro-3-indoxyl butyrate
The XLogP value of 4.2893 indicates that 5-Bromo-6-chloro-3-indoxyl butyrate 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-indoxyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-chloro-3-indoxyl butyrate 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-3-indoxyl butyrate?
The CAS number of 5-Bromo-6-chloro-3-indoxyl butyrate is 873295-29-5.
What is the molecular formula of 5-Bromo-6-chloro-3-indoxyl butyrate?
The molecular formula of 5-Bromo-6-chloro-3-indoxyl butyrate is C12H11BrClNO2.
What is the molecular weight of 5-Bromo-6-chloro-3-indoxyl butyrate?
The molecular weight of 5-Bromo-6-chloro-3-indoxyl butyrate is 314.97 g/mol.
Where can I buy 5-Bromo-6-chloro-3-indoxyl butyrate?
You can request a quote for 5-Bromo-6-chloro-3-indoxyl butyrate 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-indoxyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-chloro-3-indoxyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.