5-Butylisatin
TL;DR: 5-Butylisatin (CAS 18331-71-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1H-indole-2,3-dione
Also Known As: 5-Butylisatin, 5-butyl-1H-indole-2,3-dione, 5-Butylindoline-2,3-dione, 5-butyl-2,3-indoledione, 1H-Indole-2,3-dione,5-butyl
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.164 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 423.63034 |
Chemical Identifiers
| CAS Number | 18331-71-0 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1)NC(=O)C2=O |
Product Overview
5-Butylisatin (CAS 18331-71-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 5-butyl-1H-indole-2,3-dione.
Chemical Property Profile of 5-Butylisatin
Property Insights of 5-Butylisatin
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butylisatin. With a topological polar surface area (TPSA) of 46.17 Ų, 5-Butylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butylisatin 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-Butylisatin?
The CAS number of 5-Butylisatin is 18331-71-0.
What is the molecular formula of 5-Butylisatin?
The molecular formula of 5-Butylisatin is C12H13NO2.
What is the molecular weight of 5-Butylisatin?
The molecular weight of 5-Butylisatin is 203.09 g/mol.
Where can I buy 5-Butylisatin?
You can request a quote for 5-Butylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butylisatin?
Yes, KEHONG BIO provides custom synthesis services for 5-Butylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.