![3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid structure](/static/products/4320/432017-09-9.webp)
3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
TL;DR: 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid (CAS 432017-09-9) is a chemical compound with molecular formula C26H19ClO6 and molecular weight 462.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-chloro-4-[(1,3-dioxoinden-2-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid
Also Known As: 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid, 3-[[2-chloro-4-[(1,3-dioxoinden-2-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid, 3-((2-chloro-4-((1,3-dioxo-1H-inden-2(3H)-ylidene)methyl)-6-ethoxyphenoxy)methyl)benzoic acid, 3-[[2-chloro-4-[(1,3-dioxoinden-2-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic Acid
| Molecular Formula | C26H19ClO6 |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 5.4785 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.087 |
| Heavy Atoms | 33 |
| Complexity | 1270.8843 |
Chemical Identifiers
| CAS Number | 432017-09-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Cl)OCC4=CC(=CC=C4)C(=O)O |
Product Overview
3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid (CAS 432017-09-9), with molecular formula C26H19ClO6 and molecular weight 462.09 g/mol. IUPAC: 3-[[2-chloro-4-[(1,3-dioxoinden-2-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
Property Insights of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
The XLogP value of 5.4785 indicates that 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid. Following Lipinski's Rule of Five, 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid?
The CAS number of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid is 432017-09-9.
What is the molecular formula of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid?
The molecular formula of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid is C26H19ClO6.
What is the molecular weight of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid?
The molecular weight of 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid is 462.09 g/mol.
Where can I buy 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid?
You can request a quote for 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({2-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.