Huajiaosimuline
TL;DR: Huajiaosimuline (CAS 155416-21-0) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyl-2-(4-methyl-3-oxopentyl)pyrano[3,2-c]quinolin-5-one
Also Known As: Huajiaosimuline, 2,6-dimethyl-2-(4-methyl-3-oxopentyl)-2H,5H,6H-pyrano[3,2-c]quinolin-5-one, 2,6-dimethyl-2-(4-methyl-3-oxopentyl)pyrano[3,2-c]quinolin-5-one, 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)-, 2,6-Dimethyl-2-(3-oxo-4-methylpentyl)-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one
Technical Specifications
| Molecular Formula | C20H23NO3 |
| Molecular Weight | 325.1678 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.1678 Da |
| Heavy Atoms | 24 |
| Complexity | 604.0 |
| SMILES | CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C |
| InChIKey | NYATVLNHGXEKDI-UHFFFAOYSA-N |
Chemical Property Profile of Huajiaosimuline
Property Insights of Huajiaosimuline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Huajiaosimuline. With a topological polar surface area (TPSA) of 46.6 Ų, Huajiaosimuline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Huajiaosimuline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Huajiaosimuline?
The CAS number of Huajiaosimuline is 155416-21-0.
What is the molecular formula of Huajiaosimuline?
The molecular formula of Huajiaosimuline is C20H23NO3.
What is the molecular weight of Huajiaosimuline?
The molecular weight of Huajiaosimuline is 325.1678 g/mol.
Where can I buy Huajiaosimuline?
You can request a quote for Huajiaosimuline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Huajiaosimuline?
Yes, CoreyChem provides custom synthesis services for Huajiaosimuline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.