9A-O-Methyl-oxymitrone
TL;DR: 9A-O-Methyl-oxymitrone (CAS 128230-00-2) is a chemical compound with molecular formula C24H22O6 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4aR,9aR)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione
Also Known As: 9A-O-Methyl-oxymitrone, 9-alpha-O-Methyl-oxymitrone, (2Z,4aR,9aR)-2-[(2E)-1-Hydroxy-3-phenylprop-2-en-1-ylidene]-4a,9a-dimethoxy-4,4a,9,9a-tetrahydro-1H-xanthene-1,3(2H)-dione, (2Z,4aR,9aR)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione
| Molecular Formula | C24H22O6 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 3.4168 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.14163 |
| Heavy Atoms | 30 |
| Complexity | 1054.3756 |
Chemical Identifiers
| CAS Number | 128230-00-2 |
|---|---|
| SMILES | CO[C@@]12CC3=CC=CC=C3O[C@@]1(CC(=O)/C(=C(\C=C\C4=CC=CC=C4)/O)/C2=O)OC |
Product Overview
9A-O-Methyl-oxymitrone (CAS 128230-00-2), with molecular formula C24H22O6 and molecular weight 406.14 g/mol. IUPAC: (2Z,4aR,9aR)-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a,9a-dimethoxy-4,9-dihydroxanthene-1,3-dione.
Chemical Property Profile of 9A-O-Methyl-oxymitrone
Property Insights of 9A-O-Methyl-oxymitrone
The XLogP value of 3.4168 indicates that 9A-O-Methyl-oxymitrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 9A-O-Methyl-oxymitrone. Following Lipinski's Rule of Five, 9A-O-Methyl-oxymitrone 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
Frequently Asked Questions
What is the CAS number of 9A-O-Methyl-oxymitrone?
The CAS number of 9A-O-Methyl-oxymitrone is 128230-00-2.
What is the molecular formula of 9A-O-Methyl-oxymitrone?
The molecular formula of 9A-O-Methyl-oxymitrone is C24H22O6.
What is the molecular weight of 9A-O-Methyl-oxymitrone?
The molecular weight of 9A-O-Methyl-oxymitrone is 406.14 g/mol.
Where can I buy 9A-O-Methyl-oxymitrone?
You can request a quote for 9A-O-Methyl-oxymitrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9A-O-Methyl-oxymitrone?
Yes, KEHONG BIO provides custom synthesis services for 9A-O-Methyl-oxymitrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.