![2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile structure](/static/products/6370/63702-80-7.webp)
2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile
TL;DR: 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile (CAS 63702-80-7) is a chemical compound with molecular formula C13H11NO6 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile
Also Known As: 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile, 2-Hydroxy-2-(3-hydroxy-4-oxo-4H-pyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile, 2-hydroxy-2-(3-hydroxy-4-oxo-pyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile, 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3
| Molecular Formula | C13H11NO6 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.05862 |
| Heavy Atoms | 20 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 63702-80-7 |
|---|---|
| SMILES | C1C(C2CC(=O)C(C1O2)(C3=C(C(=O)C=CO3)O)O)C#N |
| InChIKey | CLGSIQRXIBJIKG-UHFFFAOYSA-N |
Product Overview
2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile (CAS 63702-80-7), with molecular formula C13H11NO6 and molecular weight 277.06 g/mol. IUPAC: 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile.
Chemical Property Profile of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile
Property Insights of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile
The XLogP value of -1.5 indicates that 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile. Following Lipinski's Rule of Five, 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile has 2 hydrogen bond donor(s) and 7 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 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile?
The CAS number of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile is 63702-80-7.
What is the molecular formula of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile?
The molecular formula of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile is C13H11NO6.
What is the molecular weight of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile?
The molecular weight of 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile is 277.06 g/mol.
Where can I buy 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile?
You can request a quote for 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-2-(3-hydroxy-4-oxopyran-2-yl)-3-oxo-8-oxabicyclo[3.2.1]octane-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.