2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione
TL;DR: 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 58161-73-2) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3-methoxyphenyl)methylidene]indene-1,3-dione
Also Known As: 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione, UPCMLD0ENAT5741030:001, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-1H-Indene-1,3(2H)-dione, 2-(4-Hydroxy-3-methoxy-benzylidene)-indan-1,3-dione, 2-[(4-hydroxy-3-methoxyphenyl)methylidene]indene-1,3-dione
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 58161-73-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | NPHKQWBQYOBTKH-UHFFFAOYSA-N |
Product Overview
2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 58161-73-2), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 2-[(4-hydroxy-3-methoxyphenyl)methylidene]indene-1,3-dione.
Chemical Property Profile of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione
Property Insights of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione
The XLogP value of 3.1 indicates that 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione has 1 hydrogen bond donor(s) and 4 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-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione is 58161-73-2.
What is the molecular formula of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione is C17H12O4.
What is the molecular weight of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione is 280.07 g/mol.
Where can I buy 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(4-hydroxy-3-methoxybenzylidene)-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-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-hydroxy-3-methoxybenzylidene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.