2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione
TL;DR: 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 431997-44-3) is a chemical compound with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-4,5-dimethoxyphenyl)methylidene]indene-1,3-dione
Also Known As: 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione, AM-879/14355418, 2-[(2-chloro-4,5-dimethoxyphenyl)methylidene]indene-1,3-dione, 2-[(2-chloro-4,5-dimethoxyphenyl)methylene]cyclopenta[1,2-a]benzene-1,3-dione, 2-[(2-CHLORO-4,5-DIMETHOXYPHENYL)METHYLIDENE]-2,3-DIHYDRO-1H-INDENE-1,3-DIONE
| Molecular Formula | C18H13ClO4 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.05023 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 431997-44-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Cl)OC |
| InChIKey | YOQRHERMOWJVTD-UHFFFAOYSA-N |
Product Overview
2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione (CAS 431997-44-3), with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol. IUPAC: 2-[(2-chloro-4,5-dimethoxyphenyl)methylidene]indene-1,3-dione.
Chemical Property Profile of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione
Property Insights of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione
The XLogP value of 4.1 indicates that 2-(2-chloro-4,5-dimethoxybenzylidene)-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 52.6 Ų, 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione has 0 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-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione?
The CAS number of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione is 431997-44-3.
What is the molecular formula of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione is C18H13ClO4.
What is the molecular weight of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione is 328.05 g/mol.
Where can I buy 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(2-chloro-4,5-dimethoxybenzylidene)-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-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chloro-4,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.