对苯基苯甲酰科里内酯
TL;DR: 对苯基苯甲酰科里内酯 (CAS 39265-57-1) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯基苯甲酰科里内酯
[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Also Known As: (-)-Corey lactone, Corey lactone 4-phenylbenzoate, (-)-Corey lactone 4-phenylbenzoate alcohol, BPCOD, Travoprost Impurity 28
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 2.8229 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 798.91095 |
Chemical Identifiers
| CAS Number | 39265-57-1 |
|---|---|
| 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)CO |
Product Overview
对苯基苯甲酰科里内酯 (CAS 39265-57-1), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate.
Chemical Property Profile of 对苯基苯甲酰科里内酯
Property Insights of 对苯基苯甲酰科里内酯
The XLogP value of 2.8229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对苯基苯甲酰科里内酯. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 对苯基苯甲酰科里内酯. Following Lipinski's Rule of Five, 对苯基苯甲酰科里内酯 has 1 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 对苯基苯甲酰科里内酯?
The CAS number of 对苯基苯甲酰科里内酯 is 39265-57-1.
What is the molecular formula of 对苯基苯甲酰科里内酯?
The molecular formula of 对苯基苯甲酰科里内酯 is C21H20O5.
What is the molecular weight of 对苯基苯甲酰科里内酯?
The molecular weight of 对苯基苯甲酰科里内酯 is 352.13 g/mol.
Where can I buy 对苯基苯甲酰科里内酯?
You can request a quote for 对苯基苯甲酰科里内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对苯基苯甲酰科里内酯?
Yes, KEHONG BIO provides custom synthesis services for 对苯基苯甲酰科里内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.