奥利司他
TL;DR: 奥利司他 (CAS 96829-58-2) is a chemical compound with molecular formula C29H53NO5 and molecular weight 495.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥利司他
1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate
Also Known As: orlistat, Orlistate, Orlistat Powder, Tetrahydrolipstatin, Orlistat, 5
| Molecular Formula | C29H53NO5 |
|---|---|
| Molecular Weight | 495.39 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 495.39236 |
| Heavy Atoms | 35 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 96829-58-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O |
| InChIKey | AHLBNYSZXLDEJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥利司他 (CAS 96829-58-2), with molecular formula C29H53NO5 and molecular weight 495.39 g/mol. IUPAC: 1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate.
Chemical Property Profile of 奥利司他
Property Insights of 奥利司他
The XLogP value of 10.0 indicates that 奧利司他 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 奥利司他. Following Lipinski's Rule of Five, 奧利司他 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奧利司他?
The CAS number of 奧利司他 is 96829-58-2.
What is the molecular formula of 奧利司他?
The molecular formula of 奧利司他 is C29H53NO5.
What is the molecular weight of 奧利司他?
The molecular weight of 奧利司他 is 495.39 g/mol.
Where can I buy 奧利司他?
You can request a quote for 奧利司他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奧利司他?
Yes, KEHONG BIO provides custom synthesis services for 奧利司他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.