1-Allylisatin
TL;DR: 1-Allylisatin (CAS 830-74-0) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylindole-2,3-dione
Also Known As: 1-allylindoline-2,3-dione, 1-allyl-1H-indole-2,3-dione, 1-allylisatin, allylindoledione, n-allylisatin
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.4019 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 423.05063 |
Chemical Identifiers
| CAS Number | 830-74-0 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C(=O)C1=O |
Product Overview
1-Allylisatin (CAS 830-74-0), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 1-prop-2-enylindole-2,3-dione.
Chemical Property Profile of 1-Allylisatin
Property Insights of 1-Allylisatin
The XLogP value of 1.4019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allylisatin. With a topological polar surface area (TPSA) of 37.38 Ų, 1-Allylisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allylisatin has 0 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 1-Allylisatin?
The CAS number of 1-Allylisatin is 830-74-0.
What is the molecular formula of 1-Allylisatin?
The molecular formula of 1-Allylisatin is C11H9NO2.
What is the molecular weight of 1-Allylisatin?
The molecular weight of 1-Allylisatin is 187.06 g/mol.
Where can I buy 1-Allylisatin?
You can request a quote for 1-Allylisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allylisatin?
Yes, KEHONG BIO provides custom synthesis services for 1-Allylisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.