2-(3-Methylbut-2-enoyl)indene-1,3-dione
TL;DR: 2-(3-Methylbut-2-enoyl)indene-1,3-dione (CAS 61821-71-4) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbut-2-enoyl)indene-1,3-dione
Also Known As: NCIOpen2_007189, 2-(3-methylbut-2-enoyl)indene-1,3-dione, dimethyl O,O-isopropylidenetartrate, 2-(3-methylbut-2-enoyl)-1h-indene-1,3(2h)-dione, 1H-Indene-1,3(2H)-dione,2-(3-methyl-1-oxo-2-buten-1-yl)-
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 61821-71-4 |
|---|---|
| SMILES | CC(=CC(=O)C1C(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | KWVMEUYISWAZHM-UHFFFAOYSA-N |
Product Overview
2-(3-Methylbut-2-enoyl)indene-1,3-dione (CAS 61821-71-4), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 2-(3-methylbut-2-enoyl)indene-1,3-dione.
Chemical Property Profile of 2-(3-Methylbut-2-enoyl)indene-1,3-dione
Property Insights of 2-(3-Methylbut-2-enoyl)indene-1,3-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methylbut-2-enoyl)indene-1,3-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 2-(3-Methylbut-2-enoyl)indene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methylbut-2-enoyl)indene-1,3-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 2-(3-Methylbut-2-enoyl)indene-1,3-dione?
The CAS number of 2-(3-Methylbut-2-enoyl)indene-1,3-dione is 61821-71-4.
What is the molecular formula of 2-(3-Methylbut-2-enoyl)indene-1,3-dione?
The molecular formula of 2-(3-Methylbut-2-enoyl)indene-1,3-dione is C14H12O3.
What is the molecular weight of 2-(3-Methylbut-2-enoyl)indene-1,3-dione?
The molecular weight of 2-(3-Methylbut-2-enoyl)indene-1,3-dione is 228.08 g/mol.
Where can I buy 2-(3-Methylbut-2-enoyl)indene-1,3-dione?
You can request a quote for 2-(3-Methylbut-2-enoyl)indene-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 2-(3-Methylbut-2-enoyl)indene-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylbut-2-enoyl)indene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.