Butyrylmallotochromene
TL;DR: Butyrylmallotochromene (CAS 13605-66-8) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 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]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]butan-1-one
Also Known As: Butyrylmallotochromene, KST-1B0291, 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]butan-1-one, 1-Butanone, 1-(6-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-, 1-[6-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl]butan-1-one
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 13605-66-8 |
|---|---|
| SMILES | CCCC(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C(=O)C)O)C)OC)O)C=CC(O2)(C)C |
| InChIKey | KQDGTUWOPKXJII-UHFFFAOYSA-N |
Product Overview
Butyrylmallotochromene (CAS 13605-66-8), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: 1-[6-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]butan-1-one.
Chemical Property Profile of Butyrylmallotochromene
Property Insights of Butyrylmallotochromene
The XLogP value of 5.0 indicates that Butyrylmallotochromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrylmallotochromene. Following Lipinski's Rule of Five, Butyrylmallotochromene has 4 hydrogen bond donor(s) and 8 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 Butyrylmallotochromene?
The CAS number of Butyrylmallotochromene is 13605-66-8.
What is the molecular formula of Butyrylmallotochromene?
The molecular formula of Butyrylmallotochromene is C26H30O8.
What is the molecular weight of Butyrylmallotochromene?
The molecular weight of Butyrylmallotochromene is 470.19 g/mol.
Where can I buy Butyrylmallotochromene?
You can request a quote for Butyrylmallotochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrylmallotochromene?
Yes, KEHONG BIO provides custom synthesis services for Butyrylmallotochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.