Lubiprostone
TL;DR: Lubiprostone (CAS 118583-35-0) is a chemical compound with molecular formula C20H32F2O5 and molecular weight 390.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid
Also Known As: Lubiprostone, Amitiza, Lubiprostone hemiketal, lubiprostona, lubiprostonum
| Molecular Formula | C20H32F2O5 |
|---|---|
| Molecular Weight | 390.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.22177 |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| Solubility | Practically insoluble |
Chemical Identifiers
| CAS Number | 118583-35-0 |
|---|---|
| SMILES | CCCCC([C@]1(CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)O)(F)F |
| InChIKey | WGFOBBZOWHGYQH-MXHNKVEKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lubiprostone (CAS 118583-35-0), with molecular formula C20H32F2O5 and molecular weight 390.22 g/mol. IUPAC: 7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]heptanoic acid.
Chemical Property Profile of Lubiprostone
Property Insights of Lubiprostone
The XLogP value of 4.0 indicates that Lubiprostone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Lubiprostone. Following Lipinski's Rule of Five, Lubiprostone has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lubiprostone?
The CAS number of Lubiprostone is 118583-35-0.
What is the molecular formula of Lubiprostone?
The molecular formula of Lubiprostone is C20H32F2O5.
What is the molecular weight of Lubiprostone?
The molecular weight of Lubiprostone is 390.22 g/mol.
Where can I buy Lubiprostone?
You can request a quote for Lubiprostone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lubiprostone?
Yes, KEHONG BIO provides custom synthesis services for Lubiprostone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.