5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
TL;DR: 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione (CAS 55916-19-3) is a chemical compound with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(hydroxymethyl)-2-phenylindene-1,3-dione
Also Known As: 1,3-Indandione, 5-bromo-2-(hydroxymethyl)-2-phenyl-, 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione, 5-bromo-2-(hydroxymethyl)-2-phenylindene-1,3-dione, RefChem:1072707
| Molecular Formula | C16H11BrO3 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 2.7584 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98917 |
| Heavy Atoms | 20 |
| Complexity | 708.9169 |
Chemical Identifiers
| CAS Number | 55916-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)C3=C(C2=O)C=C(C=C3)Br)CO |
Product Overview
5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione (CAS 55916-19-3), with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol. IUPAC: 5-bromo-2-(hydroxymethyl)-2-phenylindene-1,3-dione.
Chemical Property Profile of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
Property Insights of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
The XLogP value of 2.7584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione has 1 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 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione?
The CAS number of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione is 55916-19-3.
What is the molecular formula of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione?
The molecular formula of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione is C16H11BrO3.
What is the molecular weight of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione?
The molecular weight of 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione is 329.99 g/mol.
Where can I buy 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione?
You can request a quote for 5-Bromo-2-(hydroxymethyl)-2-phenyl-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 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.