Pinobanksin 3-acetate
TL;DR: Pinobanksin 3-acetate (CAS 52117-69-8) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate
Also Known As: Pinobanksin 3-acetate, 3-O-Acetylpinobanksin, Pinobanksin acetate, Pinobanksin-3-acetate, Pinobanksin 3-O-acetate
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 52117-69-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 |
| InChIKey | BJYHZSNSMVEQEH-SJORKVTESA-N |
Product Overview
Pinobanksin 3-acetate (CAS 52117-69-8), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: [(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate.
Chemical Property Profile of Pinobanksin 3-acetate
Property Insights of Pinobanksin 3-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinobanksin 3-acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinobanksin 3-acetate. Following Lipinski's Rule of Five, Pinobanksin 3-acetate has 2 hydrogen bond donor(s) and 6 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 Pinobanksin 3-acetate?
The CAS number of Pinobanksin 3-acetate is 52117-69-8.
What is the molecular formula of Pinobanksin 3-acetate?
The molecular formula of Pinobanksin 3-acetate is C17H14O6.
What is the molecular weight of Pinobanksin 3-acetate?
The molecular weight of Pinobanksin 3-acetate is 314.08 g/mol.
Where can I buy Pinobanksin 3-acetate?
You can request a quote for Pinobanksin 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinobanksin 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Pinobanksin 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.