1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid
TL;DR: 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid (CAS 20754-69-2) is a chemical compound with molecular formula C20H17ClO3 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-3-[(4-chlorophenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
Also Known As: Sid 170301, ethyl-5-methoxy-2-methyl-3-indenyl acetate, 1-p-Chlorobenzylidine-5-methoxy-2-methyl-3-indeneacetic acid, 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid, 1H-Indene-3-acetic acid, 1-((4-chlorophenyl)methylene)-5-methoxy-2-methyl-
| Molecular Formula | C20H17ClO3 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 5.151 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0866 |
| Heavy Atoms | 24 |
| Complexity | 860.95276 |
Chemical Identifiers
| CAS Number | 20754-69-2 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O |
Product Overview
1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid (CAS 20754-69-2), with molecular formula C20H17ClO3 and molecular weight 340.09 g/mol. IUPAC: 2-[(3Z)-3-[(4-chlorophenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid.
Chemical Property Profile of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid
Property Insights of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid
The XLogP value of 5.151 indicates that 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid?
The CAS number of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid is 20754-69-2.
What is the molecular formula of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid?
The molecular formula of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid is C20H17ClO3.
What is the molecular weight of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid?
The molecular weight of 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid is 340.09 g/mol.
Where can I buy 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid?
You can request a quote for 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzylidine)-5-methoxy-2-methyl-3-indeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.