RefChem:318989
TL;DR: RefChem:318989 (CAS 66903-02-4) is a chemical compound with molecular formula C22H31IN2O4 and molecular weight 514.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide
Also Known As: Ammonium, (m-(1,4-dihydro-3,5-diethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide, [3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide, 3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N,N,N-trimethylanilinium iodide, Benzenaminium, 3-[3,5-bis(ethoxycarbonyl)-1,4-dihydro-2,6-dimethyl-4-pyridinyl]-N,N,N-trimethyl-, iodide, RefChem:318989
| Molecular Formula | C22H31IN2O4 |
|---|---|
| Molecular Weight | 514.13 g/mol |
| LogP | 0.25 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1329 |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 66903-02-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](C)(C)C)C(=O)OCC)C)C.[I-] |
| InChIKey | QWDKDIPRRPPMOU-UHFFFAOYSA-N |
Product Overview
RefChem:318989 (CAS 66903-02-4), with molecular formula C22H31IN2O4 and molecular weight 514.13 g/mol. IUPAC: [3-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:318989
Property Insights of RefChem:318989
The XLogP value of 0.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318989. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318989. Following Lipinski's Rule of Five, RefChem:318989 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:318989?
The CAS number of RefChem:318989 is 66903-02-4.
What is the molecular formula of RefChem:318989?
The molecular formula of RefChem:318989 is C22H31IN2O4.
What is the molecular weight of RefChem:318989?
The molecular weight of RefChem:318989 is 514.13 g/mol.
Where can I buy RefChem:318989?
You can request a quote for RefChem:318989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318989?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.