Butyrylmallotochromanol
TL;DR: Butyrylmallotochromanol (CAS 129399-52-6) is a chemical compound with molecular formula C26H32O9 and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one
Also Known As: butyrylmallotochromanol, 1-(6-((3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5,7-trihydroxy-2,2-dimethylchroman-8-yl)butan-1-one, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-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}butan-1-one, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)butan-1-one
| Molecular Formula | C26H32O9 |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.20462 |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 129399-52-6 |
|---|---|
| SMILES | CCCC(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C(=O)C)O)C)OC)O)CC(C(O2)(C)C)O |
| InChIKey | WZTNWSOEOKNXLK-UHFFFAOYSA-N |
Product Overview
Butyrylmallotochromanol (CAS 129399-52-6), with molecular formula C26H32O9 and molecular weight 488.20 g/mol. IUPAC: 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]butan-1-one.
Chemical Property Profile of Butyrylmallotochromanol
Property Insights of Butyrylmallotochromanol
The XLogP value of 4.1 indicates that Butyrylmallotochromanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Butyrylmallotochromanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyrylmallotochromanol 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
Frequently Asked Questions
What is the CAS number of Butyrylmallotochromanol?
The CAS number of Butyrylmallotochromanol is 129399-52-6.
What is the molecular formula of Butyrylmallotochromanol?
The molecular formula of Butyrylmallotochromanol is C26H32O9.
What is the molecular weight of Butyrylmallotochromanol?
The molecular weight of Butyrylmallotochromanol is 488.20 g/mol.
Where can I buy Butyrylmallotochromanol?
You can request a quote for Butyrylmallotochromanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrylmallotochromanol?
Yes, KEHONG BIO provides custom synthesis services for Butyrylmallotochromanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.