2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione
TL;DR: 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione (CAS 76475-64-4) is a chemical compound with molecular formula C16H11BrO2 and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-(3-methylphenyl)indene-1,3-dione
Also Known As: 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione, 2-Brom-2-m-tolyl-indan-1,3-dion, 2-bromo-2-(3-methylphenyl)indene-1,3-dione, 2-bromo-2-(m-tolyl)indane-1,3-dione, 1H-Indene-1,3(2H)-dione, 2-bromo-2-(3-methylphenyl)-
| Molecular Formula | C16H11BrO2 |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.99423 |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 76475-64-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Br |
| InChIKey | MLYBZIFKSJECRI-UHFFFAOYSA-N |
Product Overview
2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione (CAS 76475-64-4), with molecular formula C16H11BrO2 and molecular weight 313.99 g/mol. IUPAC: 2-bromo-2-(3-methylphenyl)indene-1,3-dione.
Chemical Property Profile of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione
Property Insights of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione
The XLogP value of 4.1 indicates that 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione has 0 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 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione?
The CAS number of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione is 76475-64-4.
What is the molecular formula of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione is C16H11BrO2.
What is the molecular weight of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione is 313.99 g/mol.
Where can I buy 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-(3-methylphenyl)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.