Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride
TL;DR: Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride (CAS 107812-70-4) is a chemical compound with molecular formula C37H36ClN2O6P and molecular weight 670.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium chloride
Also Known As: Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride, Phosphonium,[[3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl]methyl]triphenyl-,chloride (1:1), [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium chloride, [6-methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-1,4-dihydropyridin-2-yl]methyltriphenylphosphonium chloride, RefChem:370637
| Molecular Formula | C37H36ClN2O6P |
|---|---|
| Molecular Weight | 670.20 g/mol |
| LogP | 2.934 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 670.19995 |
| Heavy Atoms | 47 |
| Complexity | 1698.8823 |
Chemical Identifiers
| CAS Number | 107812-70-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Cl-] |
Product Overview
Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride (CAS 107812-70-4), with molecular formula C37H36ClN2O6P and molecular weight 670.20 g/mol. IUPAC: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium chloride.
Chemical Property Profile of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride
Property Insights of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride
The XLogP value of 2.934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride. Following Lipinski's Rule of Five, Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
The CAS number of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride is 107812-70-4.
What is the molecular formula of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
The molecular formula of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride is C37H36ClN2O6P.
What is the molecular weight of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
The molecular weight of Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride is 670.20 g/mol.
Where can I buy Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
You can request a quote for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.