2-(4-Methylbenzoyl)indan-1,3-dione
TL;DR: 2-(4-Methylbenzoyl)indan-1,3-dione (CAS 6134-99-2) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylbenzoyl)indene-1,3-dione
Also Known As: ChemDiv3_000061, 2-(4-methylbenzoyl)indan-1,3-dione, 2-(4-methylbenzoyl)indene-1,3-dione, 2-(4-Methylbenzoyl)-1,3-indandione, 2-(4-methylbenzoyl)indane-1,3-dione
| Molecular Formula | C17H12O3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 2.87312 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07864 |
| Heavy Atoms | 20 |
| Complexity | 691.1553 |
Chemical Identifiers
| CAS Number | 6134-99-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O |
Product Overview
2-(4-Methylbenzoyl)indan-1,3-dione (CAS 6134-99-2), with molecular formula C17H12O3 and molecular weight 264.08 g/mol. IUPAC: 2-(4-methylbenzoyl)indene-1,3-dione.
Chemical Property Profile of 2-(4-Methylbenzoyl)indan-1,3-dione
Property Insights of 2-(4-Methylbenzoyl)indan-1,3-dione
The XLogP value of 2.87312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylbenzoyl)indan-1,3-dione. With a topological polar surface area (TPSA) of 51.21 Ų, 2-(4-Methylbenzoyl)indan-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylbenzoyl)indan-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-(4-Methylbenzoyl)indan-1,3-dione?
The CAS number of 2-(4-Methylbenzoyl)indan-1,3-dione is 6134-99-2.
What is the molecular formula of 2-(4-Methylbenzoyl)indan-1,3-dione?
The molecular formula of 2-(4-Methylbenzoyl)indan-1,3-dione is C17H12O3.
What is the molecular weight of 2-(4-Methylbenzoyl)indan-1,3-dione?
The molecular weight of 2-(4-Methylbenzoyl)indan-1,3-dione is 264.08 g/mol.
Where can I buy 2-(4-Methylbenzoyl)indan-1,3-dione?
You can request a quote for 2-(4-Methylbenzoyl)indan-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-(4-Methylbenzoyl)indan-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylbenzoyl)indan-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.