O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)
TL;DR: O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) (CAS 138143-47-2) is a chemical compound with molecular formula C36H50N4O8 and molecular weight 666.36285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-[[4-[[5-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-5-oxopentanoyl]oxymethyl]phenyl]methyl] 5-O-ethyl 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]pentanedioate
Also Known As: O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate), 1,1'-Diethyl 5,5'-[1,4-phenylenebis(methylene)] bis{4-ethyl-3-[(1-methyl-1H-imidazol-5-yl)methyl]pentanedioate}, 1-O-[[4-[[5-ethoxy-2-ethyl-3-[(3-methylimidazol-4-yl)methyl]-5-oxopentanoyl]oxymethyl]phenyl]methyl] 5-O-ethyl 2-ethyl-3-[(3-methylimidazol-4-yl)methyl]pentanedioate, 1H-Imidazole-5-butanoic acid, alpha-ethyl-1-methyl-beta-((1-oxopropoxy)methyl)-, 1,4-phenylenebis(methylene) ester, (alphaS-(alphaR*(alpha'R*,beta'S*),betaS*))-
Technical Specifications
| Molecular Formula | C36H50N4O8 |
| Molecular Weight | 666.36285 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 666.36285 Da |
| Heavy Atoms | 48 |
| Complexity | 928.0 |
| SMILES | CCC(C(CC1=CN=CN1C)CC(=O)OCC)C(=O)OCC2=CC=C(C=C2)COC(=O)C(CC)C(CC3=CN=CN3C)CC(=O)OCC |
| InChIKey | AHWKLYAVMFNLNG-UHFFFAOYSA-N |
Chemical Property Profile of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)
Property Insights of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)
The XLogP value of 4.1 indicates that O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)?
The CAS number of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) is 138143-47-2.
What is the molecular formula of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)?
The molecular formula of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) is C36H50N4O8.
What is the molecular weight of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)?
The molecular weight of O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) is 666.36285 g/mol.
Where can I buy O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)?
You can request a quote for O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate)?
Yes, CoreyChem provides custom synthesis services for O,O'-Dipropionyl-1,4-xylylenebis(pilocarpate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.