4-Fluoroenisoprost
TL;DR: 4-Fluoroenisoprost (CAS 109976-45-6) is a chemical compound with molecular formula C22H35FO5 and molecular weight 398.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-fluoro-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate
Also Known As: 4-Fluoroenisoprost, methyl (E)-4-fluoro-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate, Prosta-4,13-dien-1-oic acid, 4-fluoro-11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (4E,11alpha,13E,16S)-(+-)-, Prosta-4,13-dien-1-oic acid,4-fluoro-11,16-dihydroxy-16-methyl-9-oxo-,methyl ester,(4E,11alpha,13E,16S)-(+-), RefChem:99016
| Molecular Formula | C22H35FO5 |
|---|---|
| Molecular Weight | 398.25 g/mol |
| LogP | 4.0268 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.24686 |
| Heavy Atoms | 28 |
| Complexity | 567.2744 |
Chemical Identifiers
| CAS Number | 109976-45-6 |
|---|---|
| SMILES | CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC/C=C(\CCC(=O)OC)/F)O)O |
Product Overview
4-Fluoroenisoprost (CAS 109976-45-6), with molecular formula C22H35FO5 and molecular weight 398.25 g/mol. IUPAC: methyl (E)-4-fluoro-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-4-enoate.
Chemical Property Profile of 4-Fluoroenisoprost
Property Insights of 4-Fluoroenisoprost
The XLogP value of 4.0268 indicates that 4-Fluoroenisoprost is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoroenisoprost. Following Lipinski's Rule of Five, 4-Fluoroenisoprost has 2 hydrogen bond donor(s) and 5 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 4-Fluoroenisoprost?
The CAS number of 4-Fluoroenisoprost is 109976-45-6.
What is the molecular formula of 4-Fluoroenisoprost?
The molecular formula of 4-Fluoroenisoprost is C22H35FO5.
What is the molecular weight of 4-Fluoroenisoprost?
The molecular weight of 4-Fluoroenisoprost is 398.25 g/mol.
Where can I buy 4-Fluoroenisoprost?
You can request a quote for 4-Fluoroenisoprost directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoroenisoprost?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoroenisoprost and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.