NCI60_004559
TL;DR: NCI60_004559 (CAS 117211-14-0) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(2-hydroxy-3-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
Also Known As: NCI60_004559, 7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol, 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-, 8-(2-hydroxy-3-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol, 8-(2-Hydroxy-3-methoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol
Technical Specifications
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.11035 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.11035 Da |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
| SMILES | CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)O |
| InChIKey | DZDDYTVGTMPQDK-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_004559
Property Insights of NCI60_004559
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_004559. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_004559. Following Lipinski's Rule of Five, NCI60_004559 has 2 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 NCI60_004559?
The CAS number of NCI60_004559 is 117211-14-0.
What is the molecular formula of NCI60_004559?
The molecular formula of NCI60_004559 is C18H18O6.
What is the molecular weight of NCI60_004559?
The molecular weight of NCI60_004559 is 330.11035 g/mol.
Where can I buy NCI60_004559?
You can request a quote for NCI60_004559 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_004559?
Yes, CoreyChem provides custom synthesis services for NCI60_004559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.