RefChem:319058
TL;DR: RefChem:319058 (CAS 66941-31-9) is a chemical compound with molecular formula C23H33IN2O4 and molecular weight 528.15 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]-butyl-dimethylazanium iodide
Also Known As: Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)butyldimethyl-, iodide, [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-butyl-dimethylazanium iodide, AMMONIUM, (p-(1,4-DIHYDRO-3,5-DIMETHOXYCARBONYL-2,6-DIMETHYL-4-PYRIDYL)PHENYL)BU, 4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N-butyl-N,N-dimethylanilinium iodide, Benzenaminium, 4-[3,5-bis(methoxycarbonyl)-1,4-dihydro-2,6-dimethyl-4-pyridinyl]-N-butyl-N,N-dimethyl-, iodide
| Molecular Formula | C23H33IN2O4 |
|---|---|
| Molecular Weight | 528.15 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.1485 |
| Heavy Atoms | 30 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 66941-31-9 |
|---|---|
| SMILES | CCCC[N+](C)(C)C1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC.[I-] |
| InChIKey | ASABOMCYDRXYEW-UHFFFAOYSA-N |
Product Overview
RefChem:319058 (CAS 66941-31-9), with molecular formula C23H33IN2O4 and molecular weight 528.15 g/mol. IUPAC: [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-butyl-dimethylazanium iodide.
Chemical Property Profile of RefChem:319058
Property Insights of RefChem:319058
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319058. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319058. Following Lipinski's Rule of Five, RefChem:319058 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319058?
The CAS number of RefChem:319058 is 66941-31-9.
What is the molecular formula of RefChem:319058?
The molecular formula of RefChem:319058 is C23H33IN2O4.
What is the molecular weight of RefChem:319058?
The molecular weight of RefChem:319058 is 528.15 g/mol.
Where can I buy RefChem:319058?
You can request a quote for RefChem:319058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.