RefChem:391113
TL;DR: RefChem:391113 (CAS 51014-26-7) is a chemical compound with molecular formula C28H32O5 and molecular weight 448.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Also Known As: Prostaglandin Impurity 32, AE-641/01143013, (3AR,4R,5R,6AS)-4-((S,E)-3-hydroxyoct-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate, [(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate, [1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester
| Molecular Formula | C28H32O5 |
|---|---|
| Molecular Weight | 448.22 g/mol |
| LogP | 5.328 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.22498 |
| Heavy Atoms | 33 |
| Complexity | 965.54205 |
Chemical Identifiers
| CAS Number | 51014-26-7 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O |
Product Overview
RefChem:391113 (CAS 51014-26-7), with molecular formula C28H32O5 and molecular weight 448.22 g/mol. IUPAC: [(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate.
Chemical Property Profile of RefChem:391113
Property Insights of RefChem:391113
The XLogP value of 5.328 indicates that RefChem:391113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:391113. Following Lipinski's Rule of Five, RefChem:391113 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 RefChem:391113?
The CAS number of RefChem:391113 is 51014-26-7.
What is the molecular formula of RefChem:391113?
The molecular formula of RefChem:391113 is C28H32O5.
What is the molecular weight of RefChem:391113?
The molecular weight of RefChem:391113 is 448.22 g/mol.
Where can I buy RefChem:391113?
You can request a quote for RefChem:391113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:391113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:391113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.