![4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione structure](/static/products/5505/55054-47-2.webp)
4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
TL;DR: 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione (CAS 55054-47-2) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
Also Known As: RCL T180130, 3-oxo-tricyclo[4.2.2.02,5]dec-9-ene-7,8-dicarboxylic acid-an, 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione, Hexahydro-4,7-ethenocyclobuta[f][2]benzofuran-1,3,5(3aH)-trione
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 55054-47-2 |
|---|---|
| SMILES | C1C2C3C=CC(C2C1=O)C4C3C(=O)OC4=O |
| InChIKey | MHUKENDPGXRGIQ-UHFFFAOYSA-N |
Product Overview
4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione (CAS 55054-47-2), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 4-oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione.
Chemical Property Profile of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
Property Insights of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione
The XLogP value of -0.1 indicates that 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione. Following Lipinski's Rule of Five, 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione 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 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione?
The CAS number of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione is 55054-47-2.
What is the molecular formula of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione?
The molecular formula of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione is C12H10O4.
What is the molecular weight of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione?
The molecular weight of 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione is 218.06 g/mol.
Where can I buy 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione?
You can request a quote for 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-3,5,9-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.