RefChem:319191
TL;DR: RefChem:319191 (CAS 42223-06-3) is a chemical compound with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,3-dioxo-2-phenylinden-2-yl)methoxy]-2-oxoethyl]-trimethylazanium chloride
Also Known As: (1,3-Dioxo-2-phenylindan-2-yl(methoxycarbonyl)methyl)trimethylammonium chloride, 2-Trimethylammoniumacetoxymethyl-2-phenyl-indan-1,3-dione chloride, Ammonium, carboxymethyltrimethyl-, chloride ester with 2-hydroxymethyl-2-phenyl-1,3-indandione, [2-[(1,3-Dioxo-2-phenylinden-2-yl)methoxy]-2-oxoethyl]-trimethylazaniumchloride, [2-[(1,3-dioxo-2-phenylinden-2-yl)methoxy]-2-oxoethyl]-trimethylazanium chloride
| Molecular Formula | C21H22ClNO4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | -0.74 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.12375 |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 42223-06-3 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)OCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | ROINYPKVBZJCQF-UHFFFAOYSA-M |
Product Overview
RefChem:319191 (CAS 42223-06-3), with molecular formula C21H22ClNO4 and molecular weight 387.12 g/mol. IUPAC: [2-[(1,3-dioxo-2-phenylinden-2-yl)methoxy]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of RefChem:319191
Property Insights of RefChem:319191
The XLogP value of -0.74 indicates that RefChem:319191 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319191. Following Lipinski's Rule of Five, RefChem:319191 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:319191?
The CAS number of RefChem:319191 is 42223-06-3.
What is the molecular formula of RefChem:319191?
The molecular formula of RefChem:319191 is C21H22ClNO4.
What is the molecular weight of RefChem:319191?
The molecular weight of RefChem:319191 is 387.12 g/mol.
Where can I buy RefChem:319191?
You can request a quote for RefChem:319191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319191?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.