TL;DR: Strobilanthin (CAS 12037-84-2) is a chemical compound with molecular formula C22H22O9 and molecular weight 430.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one
Also Known As: Strobilanthin, Dimethyl 4-nitro-2-methylphenyl phosphate, dimethyl (2-methyl-4-nitrophenyl) phosphate, 2-[3-[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-(D-apio-beta-D-furanosyloxy)phenyl)-5,7-dimethoxy-
| Molecular Formula | C22H22O9 |
| Molecular Weight | 430.12637 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.12637 Da |
| Heavy Atoms | 31 |
| Complexity | 682.0 |
| SMILES | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=CC=C3)OC4CC(C(O4)(CO)O)O |
| InChIKey | NKBJLRQCKHCYPR-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strobilanthin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Strobilanthin. Following Lipinski's Rule of Five, Strobilanthin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Strobilanthin is 12037-84-2.
The molecular formula of Strobilanthin is C22H22O9.
The molecular weight of Strobilanthin is 430.12637 g/mol.
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