6-Chloro-3-indoxyl butyrate
TL;DR: 6-Chloro-3-indoxyl butyrate (CAS 159954-34-4) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.05565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-1H-indol-3-yl) butanoate
Also Known As: 6-Chloro-3-indoxyl butyrate, 6-Chloro-1H-indol-3-yl butyrate, Salmon-butyrate, (6-chloro-1H-indol-3-yl) butanoate, 6-CHLORO-3-INDOLYL BUTYRATE
Technical Specifications
| Molecular Formula | C12H12ClNO2 |
| Molecular Weight | 237.05565 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05565 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | CCCC(=O)OC1=CNC2=C1C=CC(=C2)Cl |
| InChIKey | GOEDSAJOXJKQKC-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-3-indoxyl butyrate
Property Insights of 6-Chloro-3-indoxyl butyrate
The XLogP value of 3.5 indicates that 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 42.1 Ų, 6-Chloro-3-indoxyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
What is the CAS number of 6-Chloro-3-indoxyl butyrate?
The CAS number of 6-Chloro-3-indoxyl butyrate is 159954-34-4.
What is the molecular formula of 6-Chloro-3-indoxyl butyrate?
The molecular formula of 6-Chloro-3-indoxyl butyrate is C12H12ClNO2.
What is the molecular weight of 6-Chloro-3-indoxyl butyrate?
The molecular weight of 6-Chloro-3-indoxyl butyrate is 237.05565 g/mol.
Where can I buy 6-Chloro-3-indoxyl butyrate?
You can request a quote for 6-Chloro-3-indoxyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-3-indoxyl butyrate?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-3-indoxyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.