RefChem:318695
TL;DR: RefChem:318695 (CAS 19477-45-3) is a chemical compound with molecular formula C19H28IN3O3 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzyl-4-ethoxycarbonyl-3-methylpyrazol-5-yl)oxyethyl-trimethylazanium iodide
Also Known As: Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester, (2-((1-Benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethylammonium iodide ethyl ester, 2-(2-benzyl-4-ethoxycarbonyl-5-methylpyrazol-3-yl)oxyethyl-trimethylazanium iodide, 2-{[1-Benzyl-4-(ethoxycarbonyl)-3-methyl-1H-pyrazol-5-yl]oxy}-N,N,N-trimethylethan-1-aminium iodide, RefChem:318695
| Molecular Formula | C19H28IN3O3 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | -0.49 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.11755 |
| Heavy Atoms | 26 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 19477-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)OCC[N+](C)(C)C.[I-] |
| InChIKey | PAKVLLSBOBUJQO-UHFFFAOYSA-M |
Product Overview
RefChem:318695 (CAS 19477-45-3), with molecular formula C19H28IN3O3 and molecular weight 473.12 g/mol. IUPAC: 2-(1-benzyl-4-ethoxycarbonyl-3-methylpyrazol-5-yl)oxyethyl-trimethylazanium iodide.
Chemical Property Profile of RefChem:318695
Property Insights of RefChem:318695
The XLogP value of -0.49 indicates that RefChem:318695 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.4 Ų, RefChem:318695 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318695 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:318695?
The CAS number of RefChem:318695 is 19477-45-3.
What is the molecular formula of RefChem:318695?
The molecular formula of RefChem:318695 is C19H28IN3O3.
What is the molecular weight of RefChem:318695?
The molecular weight of RefChem:318695 is 473.12 g/mol.
Where can I buy RefChem:318695?
You can request a quote for RefChem:318695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318695?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.