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 670.19995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[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
Technical Specifications
| Molecular Formula | C37H36ClN2O6P |
| Molecular Weight | 670.19995 g/mol |
| XLogP | 2.934 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 670.19995 Da |
| Heavy Atoms | 47 |
| Complexity | 1100.0 |
| 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-] |
| InChIKey | KFEQECQDNHDOAO-UHFFFAOYSA-N |
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 110.0 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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 670.19995 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride?
Yes, CoreyChem 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.