1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-
TL;DR: 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- (CAS 55916-21-7) is a chemical compound with molecular formula C20H13BrO3 and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(hydroxymethyl)-2-naphthalen-2-ylindene-1,3-dione
Also Known As: 5-Bromo-2-hydroxymethyl-2-(2-naphthyl)-1,3-indandione, 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-, 5-Bromo-2-(beta-naftil)-2-idrossimetilindan-1,3-dione, 5-Bromo-2-(beta-naftil)-2-idrossimetilindan-1,3-dione [Italian], 1H-Indene-1,3(2H)-dione, 5-bromo-2-(hydroxymethyl)-2-(2-naphthalenyl)-
| Molecular Formula | C20H13BrO3 |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | 3.9116 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.00482 |
| Heavy Atoms | 24 |
| Complexity | 1008.6915 |
Chemical Identifiers
| CAS Number | 55916-21-7 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C3(C(=O)C4=C(C3=O)C=C(C=C4)Br)CO |
Product Overview
1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- (CAS 55916-21-7), with molecular formula C20H13BrO3 and molecular weight 380.00 g/mol. IUPAC: 5-bromo-2-(hydroxymethyl)-2-naphthalen-2-ylindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-
Property Insights of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-
The XLogP value of 3.9116 indicates that 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- 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 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-?
The CAS number of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- is 55916-21-7.
What is the molecular formula of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-?
The molecular formula of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- is C20H13BrO3.
What is the molecular weight of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-?
The molecular weight of 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- is 380.00 g/mol.
Where can I buy 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-?
You can request a quote for 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 5-bromo-2-hydroxymethyl-2-(2-naphthyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.