1,3-Indandione, 2-isobutyryl-
TL;DR: 1,3-Indandione, 2-isobutyryl- (CAS 101832-57-9) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropanoyl)indene-1,3-dione
Also Known As: 1,3-Indandione, 2-isobutyryl-, 2-(2-methylpropanoyl)indene-1,3-dione, 2-isobutyryl-1,3-indandione, 2-(2-Methylpropanoyl)indane-1,3-dione, 2-(2-methylpropanoyl)-2,3-dihydro-1H-indene-1,3-dione
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 101832-57-9 |
|---|---|
| SMILES | CC(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | GWZHPSHQKPBGNN-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-isobutyryl- (CAS 101832-57-9), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 2-(2-methylpropanoyl)indene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-isobutyryl-
Property Insights of 1,3-Indandione, 2-isobutyryl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-isobutyryl-. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Indandione, 2-isobutyryl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-isobutyryl- 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-Indandione, 2-isobutyryl-?
The CAS number of 1,3-Indandione, 2-isobutyryl- is 101832-57-9.
What is the molecular formula of 1,3-Indandione, 2-isobutyryl-?
The molecular formula of 1,3-Indandione, 2-isobutyryl- is C13H12O3.
What is the molecular weight of 1,3-Indandione, 2-isobutyryl-?
The molecular weight of 1,3-Indandione, 2-isobutyryl- is 216.08 g/mol.
Where can I buy 1,3-Indandione, 2-isobutyryl-?
You can request a quote for 1,3-Indandione, 2-isobutyryl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-isobutyryl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-isobutyryl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.