Qianhucoumarin C
TL;DR: Qianhucoumarin C (CAS 118492-81-2) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(9R,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
Also Known As: Qianhucoumarin C, (8)S-HEPE, [(9R,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate, ((9R,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano(2,3-f)chromen-10-yl) acetate, (9R,10S)-9-Hydroxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl acetate
Technical Specifications
| Molecular Formula | C16H16O6 |
| Molecular Weight | 304.0947 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0947 Da |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
| SMILES | CC(=O)O[C@@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O |
| InChIKey | IPUBQCBQSUVXEV-LSDHHAIUSA-N |
Chemical Property Profile of Qianhucoumarin C
Property Insights of Qianhucoumarin C
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Qianhucoumarin C. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Qianhucoumarin C. Following Lipinski's Rule of Five, Qianhucoumarin C has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Qianhucoumarin C?
The CAS number of Qianhucoumarin C is 118492-81-2.
What is the molecular formula of Qianhucoumarin C?
The molecular formula of Qianhucoumarin C is C16H16O6.
What is the molecular weight of Qianhucoumarin C?
The molecular weight of Qianhucoumarin C is 304.0947 g/mol.
Where can I buy Qianhucoumarin C?
You can request a quote for Qianhucoumarin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Qianhucoumarin C?
Yes, CoreyChem provides custom synthesis services for Qianhucoumarin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.