Isobutyrylmallotochromanol
TL;DR: Isobutyrylmallotochromanol (CAS 1293994-85-0) is a chemical compound with molecular formula C26H32O9 and molecular weight 488.20462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylpropan-1-one
Also Known As: isobutyrylmallotochromanol, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-2-methylpropan-1-one, 1-{6-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl}-2-methylpropan-1-one, 1-Propanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-2-methyl-, (2,4-dichloro-3,5,6-trideuteriophenoxy)-diethoxy-sulfanylidene-On5-phosphane
Technical Specifications
| Molecular Formula | C26H32O9 |
| Molecular Weight | 488.20462 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.20462 Da |
| Heavy Atoms | 35 |
| Complexity | 783.0 |
| SMILES | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C3C(=C2O)CC(C(O3)(C)C)O)C(=O)C(C)C)O)O)C(=O)C)O |
| InChIKey | YOQKJYPYVSGRAG-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyrylmallotochromanol
Property Insights of Isobutyrylmallotochromanol
The XLogP value of 4.3 indicates that Isobutyrylmallotochromanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Isobutyrylmallotochromanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobutyrylmallotochromanol has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutyrylmallotochromanol?
The CAS number of Isobutyrylmallotochromanol is 1293994-85-0.
What is the molecular formula of Isobutyrylmallotochromanol?
The molecular formula of Isobutyrylmallotochromanol is C26H32O9.
What is the molecular weight of Isobutyrylmallotochromanol?
The molecular weight of Isobutyrylmallotochromanol is 488.20462 g/mol.
Where can I buy Isobutyrylmallotochromanol?
You can request a quote for Isobutyrylmallotochromanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyrylmallotochromanol?
Yes, CoreyChem provides custom synthesis services for Isobutyrylmallotochromanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.