16,16-Difluoro-9,15-dioxoprostan-1-oic acid
TL;DR: 16,16-Difluoro-9,15-dioxoprostan-1-oic acid (CAS 321457-71-0) is a chemical compound with molecular formula C20H32F2O4 and molecular weight 374.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoic acid
Also Known As: Lubiprostone Impurity B, Lubiprostone Impurity 4, 16,16-Difluoro-9,15-dioxoprostan-1-oic acid, Prostan-1-oic acid, 16,16-difluoro-9,15-dioxo-, 7-((1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl)heptanoic acid
| Molecular Formula | C20H32F2O4 |
|---|---|
| Molecular Weight | 374.23 g/mol |
| LogP | 5.1817 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 374.22687 |
| Heavy Atoms | 26 |
| Complexity | 476.43164 |
Chemical Identifiers
| CAS Number | 321457-71-0 |
|---|---|
| SMILES | CCCCC(C(=O)CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)(F)F |
Product Overview
16,16-Difluoro-9,15-dioxoprostan-1-oic acid (CAS 321457-71-0), with molecular formula C20H32F2O4 and molecular weight 374.23 g/mol. IUPAC: 7-[(1R,2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxocyclopentyl]heptanoic acid.
Chemical Property Profile of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid
Property Insights of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid
The XLogP value of 5.1817 indicates that 16,16-Difluoro-9,15-dioxoprostan-1-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 16,16-Difluoro-9,15-dioxoprostan-1-oic acid. Following Lipinski's Rule of Five, 16,16-Difluoro-9,15-dioxoprostan-1-oic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid?
The CAS number of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid is 321457-71-0.
What is the molecular formula of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid?
The molecular formula of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid is C20H32F2O4.
What is the molecular weight of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid?
The molecular weight of 16,16-Difluoro-9,15-dioxoprostan-1-oic acid is 374.23 g/mol.
Where can I buy 16,16-Difluoro-9,15-dioxoprostan-1-oic acid?
You can request a quote for 16,16-Difluoro-9,15-dioxoprostan-1-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,16-Difluoro-9,15-dioxoprostan-1-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 16,16-Difluoro-9,15-dioxoprostan-1-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.