RefChem:207841
TL;DR: RefChem:207841 (CAS 136790-72-2) is a chemical compound with molecular formula C20H28F2O5 and molecular weight 386.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4R,5R,6aS)-4-[(E)-4,4-difluoro-3-oxooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Also Known As: Lubiprostone Impurity 10, (3aR,4R,5R,6aS)-4-((E)-4,4-difluoro-3-oxooct-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one, (3aR,4R,5R,6aS)-4-[(1E)-4,4-Difluoro-3-oxo-1-octen-1-yl]hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-2-one, 2H-Cyclopenta[b]furan-2-one, 4-[(1E)-4,4-difluoro-3-oxo-1-octen-1-yl]hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4R,5R,6aS)-, (3aR,4R,5R,6aS)-4-((1E)-4,4-Difluoro-3-oxo-1-octen-1-yl)hexahydro-5-((tetrahydro-2H-pyran-2-yl)oxy)-2H-cyclopenta(b)furan-2-one
| Molecular Formula | C20H28F2O5 |
|---|---|
| Molecular Weight | 386.19 g/mol |
| LogP | 3.8006 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.1905 |
| Heavy Atoms | 27 |
| Complexity | 570.71936 |
Chemical Identifiers
| CAS Number | 136790-72-2 |
|---|---|
| SMILES | CCCCC(C(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3)(F)F |
Product Overview
RefChem:207841 (CAS 136790-72-2), with molecular formula C20H28F2O5 and molecular weight 386.19 g/mol. IUPAC: (3aR,4R,5R,6aS)-4-[(E)-4,4-difluoro-3-oxooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
Chemical Property Profile of RefChem:207841
Property Insights of RefChem:207841
The XLogP value of 3.8006 indicates that RefChem:207841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:207841. Following Lipinski's Rule of Five, RefChem:207841 has 0 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 RefChem:207841?
The CAS number of RefChem:207841 is 136790-72-2.
What is the molecular formula of RefChem:207841?
The molecular formula of RefChem:207841 is C20H28F2O5.
What is the molecular weight of RefChem:207841?
The molecular weight of RefChem:207841 is 386.19 g/mol.
Where can I buy RefChem:207841?
You can request a quote for RefChem:207841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:207841?
Yes, KEHONG BIO provides custom synthesis services for RefChem:207841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.