RefChem:1069604
TL;DR: RefChem:1069604 (CAS 109428-59-3) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,8R,9S,13R)-11,14-dioxatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
Also Known As: (3a-alpha,4-beta,9-beta,9a-alpha)-3a,4,9,9a-Tetrahydro-4,9-epoxynaphtho(2,3-c)furan-1,3-dione, 4,9-Epoxynaphtho(2,3-c)furan-1,3-dione, 3a,4,9,9a-tetrahydro-, (3a-alpha,4-beta,9-beta,9a-alpha)-
Technical Specifications
| Molecular Formula | C12H8O4 |
| Molecular Weight | 216.04225 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.04225 Da |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
| SMILES | C1=CC=C2[C@H]3[C@@H]4[C@H]([C@@H](C2=C1)O3)C(=O)OC4=O |
| InChIKey | CJPSIBAIMIKXCI-YNFQOJQRSA-N |
Chemical Property Profile of RefChem:1069604
Property Insights of RefChem:1069604
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069604. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1069604 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069604 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
What is the CAS number of RefChem:1069604?
The CAS number of RefChem:1069604 is 109428-59-3.
What is the molecular formula of RefChem:1069604?
The molecular formula of RefChem:1069604 is C12H8O4.
What is the molecular weight of RefChem:1069604?
The molecular weight of RefChem:1069604 is 216.04225 g/mol.
Where can I buy RefChem:1069604?
You can request a quote for RefChem:1069604 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1069604?
Yes, CoreyChem provides custom synthesis services for RefChem:1069604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.