2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione
TL;DR: 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione (CAS 122631-62-3) is a chemical compound with molecular formula C16H10Br2O2 and molecular weight 391.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-[bromo(phenyl)methyl]indene-1,3-dione
Also Known As: 2-Bromo-2-(bromo(phenyl)methyl)-1H-indene-1,3(2H)-dione, 2-bromo-2-(alpha-bromobenzyl)-1,3-indanedione, 2-bromo-2-[bromo(phenyl)methyl]indane-1,3-dione, 2-bromo-2-[bromo(phenyl)methyl]indene-1,3-dione, 2-bromo-2-[bromo(phenyl)methyl]-1H-indene-1,3(2H)-dione
| Molecular Formula | C16H10Br2O2 |
|---|---|
| Molecular Weight | 391.90 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.90475 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 122631-62-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2(C(=O)C3=CC=CC=C3C2=O)Br)Br |
| InChIKey | FHJMGLKGPTXNQZ-UHFFFAOYSA-N |
Product Overview
2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione (CAS 122631-62-3), with molecular formula C16H10Br2O2 and molecular weight 391.90 g/mol. IUPAC: 2-bromo-2-[bromo(phenyl)methyl]indene-1,3-dione.
Chemical Property Profile of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione
Property Insights of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione
The XLogP value of 4.4 indicates that 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione 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-(alpha-bromobenzyl)-1,3-indanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione 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-(alpha-bromobenzyl)-1,3-indanedione?
The CAS number of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione is 122631-62-3.
What is the molecular formula of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione?
The molecular formula of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione is C16H10Br2O2.
What is the molecular weight of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione?
The molecular weight of 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione is 391.90 g/mol.
Where can I buy 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione?
You can request a quote for 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione 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-(alpha-bromobenzyl)-1,3-indanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-(alpha-bromobenzyl)-1,3-indanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.