RefChem:394227
TL;DR: RefChem:394227 (CAS 41639-72-9) is a chemical compound with molecular formula C31H28O5 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Also Known As: Prostaglandin Impurity 13, J2.876.210K, 639B729, (3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-5-Phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate, [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester
| Molecular Formula | C31H28O5 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 5.5887 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.19366 |
| Heavy Atoms | 36 |
| Complexity | 1247.143 |
Chemical Identifiers
| CAS Number | 41639-72-9 |
|---|---|
| SMILES | C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)/C=C/C(=O)CCC5=CC=CC=C5 |
Product Overview
RefChem:394227 (CAS 41639-72-9), with molecular formula C31H28O5 and molecular weight 480.19 g/mol. IUPAC: [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate.
Chemical Property Profile of RefChem:394227
Property Insights of RefChem:394227
The XLogP value of 5.5887 indicates that RefChem:394227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:394227. Following Lipinski's Rule of Five, RefChem:394227 has 0 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:394227?
The CAS number of RefChem:394227 is 41639-72-9.
What is the molecular formula of RefChem:394227?
The molecular formula of RefChem:394227 is C31H28O5.
What is the molecular weight of RefChem:394227?
The molecular weight of RefChem:394227 is 480.19 g/mol.
Where can I buy RefChem:394227?
You can request a quote for RefChem:394227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:394227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:394227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.