5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-
TL;DR: 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- (CAS 71861-14-8) is a chemical compound with molecular formula C18H13ClO3 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1H-inden-5-yl]acetic acid
Also Known As: 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-, 2-(p-Chlorobenzylidene)-3-oxo-5-indanacetic acid, 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1H-inden-5-yl]acetic acid, RefChem:1073019, BRN 2994126
| Molecular Formula | C18H13ClO3 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.7895 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05533 |
| Heavy Atoms | 22 |
| Complexity | 788.4796 |
Chemical Identifiers
| CAS Number | 71861-14-8 |
|---|---|
| SMILES | C\1C2=C(C=C(C=C2)CC(=O)O)C(=O)/C1=C\C3=CC=C(C=C3)Cl |
Product Overview
5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- (CAS 71861-14-8), with molecular formula C18H13ClO3 and molecular weight 312.06 g/mol. IUPAC: 2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1H-inden-5-yl]acetic acid.
Chemical Property Profile of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-
Property Insights of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-
The XLogP value of 3.7895 indicates that 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- has 1 hydrogen bond donor(s) and 2 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-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-?
The CAS number of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- is 71861-14-8.
What is the molecular formula of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-?
The molecular formula of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- is C18H13ClO3.
What is the molecular weight of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-?
The molecular weight of 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- is 312.06 g/mol.
Where can I buy 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-?
You can request a quote for 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 5-Indanacetic acid, 2-(p-chlorobenzylidene)-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.