RefChem:319057
TL;DR: RefChem:319057 (CAS 66941-30-8) is a chemical compound with molecular formula C26H31IN2O4 and molecular weight 562.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide
Also Known As: Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)benzyldimethyl-, iodide, benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide, AMMONIUM, (p-(1,4-DIHYDRO-3,5-DIMETHOXYCARBONYL-2,6-DIMETHYL-4-PYRIDYL)PHENYL)BE, Benzenemethanaminium, N-[4-[3,5-bis(methoxycarbonyl)-1,4-dihydro-2,6-dimethyl-4-pyridinyl]phenyl]-N,N-dimethyl-, iodide, N-Benzyl-4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N,N-dimethylanilinium iodide
| Molecular Formula | C26H31IN2O4 |
|---|---|
| Molecular Weight | 562.13 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.1329 |
| Heavy Atoms | 33 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 66941-30-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](C)(C)CC3=CC=CC=C3)C(=O)OC.[I-] |
| InChIKey | WKTZIMKKCFKCRM-UHFFFAOYSA-N |
Product Overview
RefChem:319057 (CAS 66941-30-8), with molecular formula C26H31IN2O4 and molecular weight 562.13 g/mol. IUPAC: benzyl-[4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethylazanium iodide.
Chemical Property Profile of RefChem:319057
Property Insights of RefChem:319057
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319057. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319057. Following Lipinski's Rule of Five, RefChem:319057 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:319057?
The CAS number of RefChem:319057 is 66941-30-8.
What is the molecular formula of RefChem:319057?
The molecular formula of RefChem:319057 is C26H31IN2O4.
What is the molecular weight of RefChem:319057?
The molecular weight of RefChem:319057 is 562.13 g/mol.
Where can I buy RefChem:319057?
You can request a quote for RefChem:319057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.