1-(1H-indol-3-yl)butane-1,3-dione
TL;DR: 1-(1H-indol-3-yl)butane-1,3-dione (CAS 22582-46-3) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)butane-1,3-dione
Also Known As: 1-(1H-indol-3-yl)butane-1,3-dione, BAS 00271144, 1-(1H-Indol-3-yl)-butane-1,3-dione
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 22582-46-3 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | IQKLQVQBEWGKJL-UHFFFAOYSA-N |
Product Overview
1-(1H-indol-3-yl)butane-1,3-dione (CAS 22582-46-3), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 1-(1H-indol-3-yl)butane-1,3-dione.
Chemical Property Profile of 1-(1H-indol-3-yl)butane-1,3-dione
Property Insights of 1-(1H-indol-3-yl)butane-1,3-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-indol-3-yl)butane-1,3-dione. With a topological polar surface area (TPSA) of 49.9 Ų, 1-(1H-indol-3-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)butane-1,3-dione 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 1-(1H-indol-3-yl)butane-1,3-dione?
The CAS number of 1-(1H-indol-3-yl)butane-1,3-dione is 22582-46-3.
What is the molecular formula of 1-(1H-indol-3-yl)butane-1,3-dione?
The molecular formula of 1-(1H-indol-3-yl)butane-1,3-dione is C12H11NO2.
What is the molecular weight of 1-(1H-indol-3-yl)butane-1,3-dione?
The molecular weight of 1-(1H-indol-3-yl)butane-1,3-dione is 201.08 g/mol.
Where can I buy 1-(1H-indol-3-yl)butane-1,3-dione?
You can request a quote for 1-(1H-indol-3-yl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.