Orlistat
TL;DR: Orlistat (CAS 130193-41-8) is a chemical compound with molecular formula C29H53NO5 and molecular weight 495.39236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
Also Known As: orlistat, Tetrahydrolipstatin, Xenical, Orlipastat, Alli
Technical Specifications
| Molecular Formula | C29H53NO5 |
| Molecular Weight | 495.39236 g/mol |
| XLogP | 10.0 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 495.39236 Da |
| Heavy Atoms | 35 |
| Complexity | 579.0 |
| SMILES | CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
| InChIKey | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
Chemical Property Profile of Orlistat
Property Insights of Orlistat
The XLogP value of 10.0 indicates that Orlistat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Orlistat. Following Lipinski's Rule of Five, Orlistat has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Orlistat?
The CAS number of Orlistat is 130193-41-8.
What is the molecular formula of Orlistat?
The molecular formula of Orlistat is C29H53NO5.
What is the molecular weight of Orlistat?
The molecular weight of Orlistat is 495.39236 g/mol.
Where can I buy Orlistat?
You can request a quote for Orlistat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Orlistat?
Yes, CoreyChem provides custom synthesis services for Orlistat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.