RefChem:339912
TL;DR: RefChem:339912 (CAS 42223-07-4) is a chemical compound with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]methoxy]-2-oxoethyl]-trimethylazanium chloride
Also Known As: 2-Trimethylammoniumacetoxymethyl-2-(4-methoxyphenyl)-indan-1,3-dione chloride, Ethanaminium, 2-((2,3-dihydro-2-(4-methoxyphenyl)-1,3-dioxo-1H-inden-2-yl)methoxy)-2-oxo-N,N,N-trimethyl-, chloride, (1,3-Dioxo-2-(p-methoxyphenyl)indan-2-yl(methoxycarbonyl)methyl)trimethylammonium chloride, [2-[[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]methoxy]-2-oxoethyl]-trimethylazanium chloride, 2-{[2-(4-Methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl]methoxy}-N,N,N-trimethyl-2-oxoethan-1-aminium chloride
| Molecular Formula | C22H24ClNO5 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | -0.7344 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1343 |
| Heavy Atoms | 29 |
| Complexity | 895.964 |
Chemical Identifiers
| CAS Number | 42223-07-4 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)OCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC.[Cl-] |
Product Overview
RefChem:339912 (CAS 42223-07-4), with molecular formula C22H24ClNO5 and molecular weight 417.13 g/mol. IUPAC: [2-[[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]methoxy]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of RefChem:339912
Property Insights of RefChem:339912
The XLogP value of -0.7344 indicates that RefChem:339912 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339912. Following Lipinski's Rule of Five, RefChem:339912 has 0 hydrogen bond donor(s) and 5 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 RefChem:339912?
The CAS number of RefChem:339912 is 42223-07-4.
What is the molecular formula of RefChem:339912?
The molecular formula of RefChem:339912 is C22H24ClNO5.
What is the molecular weight of RefChem:339912?
The molecular weight of RefChem:339912 is 417.13 g/mol.
Where can I buy RefChem:339912?
You can request a quote for RefChem:339912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339912?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.