RefChem:319060
TL;DR: RefChem:319060 (CAS 66941-34-2) is a chemical compound with molecular formula C20H27IN2O4 and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide
Also Known As: Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide, [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide, 4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N,N,N-trimethylanilinium iodide, Benzenaminium, 4-[3,5-bis(methoxycarbonyl)-1,4-dihydro-2,6-dimethyl-4-pyridinyl]-N,N,N-trimethyl-, iodide, RefChem:319060
| Molecular Formula | C20H27IN2O4 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | -0.53 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.10156 |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 66941-34-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](C)(C)C)C(=O)OC.[I-] |
| InChIKey | SVWYXOVDJGAJTM-UHFFFAOYSA-N |
Product Overview
RefChem:319060 (CAS 66941-34-2), with molecular formula C20H27IN2O4 and molecular weight 486.10 g/mol. IUPAC: [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:319060
Property Insights of RefChem:319060
The XLogP value of -0.53 indicates that RefChem:319060 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319060. Following Lipinski's Rule of Five, RefChem:319060 has 1 hydrogen bond donor(s) and 6 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:319060?
The CAS number of RefChem:319060 is 66941-34-2.
What is the molecular formula of RefChem:319060?
The molecular formula of RefChem:319060 is C20H27IN2O4.
What is the molecular weight of RefChem:319060?
The molecular weight of RefChem:319060 is 486.10 g/mol.
Where can I buy RefChem:319060?
You can request a quote for RefChem:319060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319060?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.