exo-5,6-Dehydronorcantharidin
TL;DR: exo-5,6-Dehydronorcantharidin (CAS 6118-51-0) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: ETPA, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic anhydride, exo-5,6-Dehydronorcantharidin, Furan-maleic anhydride adduct, (3aR,4S,7R,7aS)-rel-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6118-51-0 |
|---|---|
| SMILES | C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O |
| InChIKey | QQYNRBAAQFZCLF-FBXFSONDSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
exo-5,6-Dehydronorcantharidin (CAS 6118-51-0), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: (1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of exo-5,6-Dehydronorcantharidin
Property Insights of exo-5,6-Dehydronorcantharidin
The XLogP value of -0.5 indicates that exo-5,6-Dehydronorcantharidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, exo-5,6-Dehydronorcantharidin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, exo-5,6-Dehydronorcantharidin has 0 hydrogen bond donor(s) and 4 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 exo-5,6-Dehydronorcantharidin?
The CAS number of exo-5,6-Dehydronorcantharidin is 6118-51-0.
What is the molecular formula of exo-5,6-Dehydronorcantharidin?
The molecular formula of exo-5,6-Dehydronorcantharidin is C8H6O4.
What is the molecular weight of exo-5,6-Dehydronorcantharidin?
The molecular weight of exo-5,6-Dehydronorcantharidin is 166.03 g/mol.
Where can I buy exo-5,6-Dehydronorcantharidin?
You can request a quote for exo-5,6-Dehydronorcantharidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for exo-5,6-Dehydronorcantharidin?
Yes, KEHONG BIO provides custom synthesis services for exo-5,6-Dehydronorcantharidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.