去甲斑蝥素
TL;DR: 去甲斑蝥素 (CAS 5442-12-6) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲斑蝥素
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: Norcantharidin, Norcantharadine, Endothall anhydride, Isocantharidin, Demehylcantharidin
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 5442-12-6 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)OC3=O |
| InChIKey | JAABVEXCGCXWRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
去甲斑蝥素 (CAS 5442-12-6), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 去甲斑蝥素
Property Insights of 去甲斑蝥素
The XLogP value of -0.1 indicates that 去甲斑蝥素 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, 去甲斑蝥素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去甲斑蝥素 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 去甲斑蝥素?
The CAS number of 去甲斑蝥素 is 5442-12-6.
What is the molecular formula of 去甲斑蝥素?
The molecular formula of 去甲斑蝥素 is C8H8O4.
What is the molecular weight of 去甲斑蝥素?
The molecular weight of 去甲斑蝥素 is 168.04 g/mol.
Where can I buy 去甲斑蝥素?
You can request a quote for 去甲斑蝥素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲斑蝥素?
Yes, KEHONG BIO provides custom synthesis services for 去甲斑蝥素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.