Pentoxifylline MTPA
TL;DR: Pentoxifylline MTPA (CAS 130007-50-0) is a chemical compound with molecular formula C23H27F3N4O5 and molecular weight 496.19336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Also Known As: Pentoxifylline mtpa, 3-methyl-pentenedioic acid monoethyl ester, Pentoxifylline-alpha-methoxy-alpha-(trifluoromethyl)phenylacetate ester, [(2R)-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate, (S-(R*,S*))-1-Methyl-5-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)pentyl alpha-methoxy-alpha-(trifluoromethyl)benzeneacetate
Technical Specifications
| Molecular Formula | C23H27F3N4O5 |
| Molecular Weight | 496.19336 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.19336 Da |
| Heavy Atoms | 35 |
| Complexity | 792.0 |
| SMILES | C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC |
| InChIKey | UGCLXABBIBEIAJ-QRQCRPRQSA-N |
Chemical Property Profile of Pentoxifylline MTPA
Property Insights of Pentoxifylline MTPA
The XLogP value of 3.5 indicates that Pentoxifylline MTPA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentoxifylline MTPA. Following Lipinski's Rule of Five, Pentoxifylline MTPA has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentoxifylline MTPA?
The CAS number of Pentoxifylline MTPA is 130007-50-0.
What is the molecular formula of Pentoxifylline MTPA?
The molecular formula of Pentoxifylline MTPA is C23H27F3N4O5.
What is the molecular weight of Pentoxifylline MTPA?
The molecular weight of Pentoxifylline MTPA is 496.19336 g/mol.
Where can I buy Pentoxifylline MTPA?
You can request a quote for Pentoxifylline MTPA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentoxifylline MTPA?
Yes, CoreyChem provides custom synthesis services for Pentoxifylline MTPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.