1-(3-Oxobutyl)-1H-indole-2,3-dione
TL;DR: 1-(3-Oxobutyl)-1H-indole-2,3-dione (CAS 99460-77-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-oxobutyl)indole-2,3-dione
Also Known As: 1-(3-oxobutyl)isatin, 1-(3-oxobutyl)indole-2,3-dione, 1-(3-Oxobutyl)-1H-indole-2,3-dione, BAS 00655163, 1-(3-Oxo-butyl)-1H-indole-2,3-dione
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.195 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 478.90714 |
Chemical Identifiers
| CAS Number | 99460-77-2 |
|---|---|
| SMILES | CC(=O)CCN1C2=CC=CC=C2C(=O)C1=O |
Product Overview
1-(3-Oxobutyl)-1H-indole-2,3-dione (CAS 99460-77-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: 1-(3-oxobutyl)indole-2,3-dione.
Chemical Property Profile of 1-(3-Oxobutyl)-1H-indole-2,3-dione
Property Insights of 1-(3-Oxobutyl)-1H-indole-2,3-dione
The XLogP value of 1.195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Oxobutyl)-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 54.45 Ų, 1-(3-Oxobutyl)-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Oxobutyl)-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 3 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-(3-Oxobutyl)-1H-indole-2,3-dione?
The CAS number of 1-(3-Oxobutyl)-1H-indole-2,3-dione is 99460-77-2.
What is the molecular formula of 1-(3-Oxobutyl)-1H-indole-2,3-dione?
The molecular formula of 1-(3-Oxobutyl)-1H-indole-2,3-dione is C12H11NO3.
What is the molecular weight of 1-(3-Oxobutyl)-1H-indole-2,3-dione?
The molecular weight of 1-(3-Oxobutyl)-1H-indole-2,3-dione is 217.07 g/mol.
Where can I buy 1-(3-Oxobutyl)-1H-indole-2,3-dione?
You can request a quote for 1-(3-Oxobutyl)-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Oxobutyl)-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Oxobutyl)-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.