Qianhucoumarin B
TL;DR: Qianhucoumarin B (CAS 152615-14-0) 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.
[(9S,10S)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] acetate
Also Known As: Qianhucoumarin B, HY-N11791, [(9S,10S)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] acetate, 2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9-(acetyloxy)-9,10-dihydro-10-hydroxy-8,8-dimethyl-, (9S-cis)-, ((9S,10S)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano(2,3-f)chromen-9-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](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O |
| InChIKey | WGBFEDHNTNVZGG-ZFWWWQNUSA-N |
Chemical Property Profile of Qianhucoumarin B
Property Insights of Qianhucoumarin B
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Qianhucoumarin B. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Qianhucoumarin B. Following Lipinski's Rule of Five, Qianhucoumarin B 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 B?
The CAS number of Qianhucoumarin B is 152615-14-0.
What is the molecular formula of Qianhucoumarin B?
The molecular formula of Qianhucoumarin B is C16H16O6.
What is the molecular weight of Qianhucoumarin B?
The molecular weight of Qianhucoumarin B is 304.0947 g/mol.
Where can I buy Qianhucoumarin B?
You can request a quote for Qianhucoumarin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Qianhucoumarin B?
Yes, CoreyChem provides custom synthesis services for Qianhucoumarin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.