1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one
TL;DR: 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one (CAS 3098-40-6) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butanoyl-2,4,6-trihydroxyphenyl)butan-1-one
Also Known As: Dibutyrylphloroglucin, 2,4-dibutyrylphloroglucinol, 1-(3-butanoyl-2,4,6-trihydroxyphenyl)butan-1-one, 1-Butanone, 1,1'-(2,4,6-trihydroxy-m-phenylene)di-, AA-504/32336046
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 3098-40-6 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CCC)O |
| InChIKey | VSWOWTGYBBDKCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one (CAS 3098-40-6), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: 1-(3-butanoyl-2,4,6-trihydroxyphenyl)butan-1-one.
Chemical Property Profile of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one
Property Insights of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one
The XLogP value of 3.0 indicates that 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one. Following Lipinski's Rule of Five, 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one has 3 hydrogen bond donor(s) and 5 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 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one?
The CAS number of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one is 3098-40-6.
What is the molecular formula of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one?
The molecular formula of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one is C14H18O5.
What is the molecular weight of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one?
The molecular weight of 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one is 266.12 g/mol.
Where can I buy 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one?
You can request a quote for 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Butanoyl-2,4,6-trihydroxyphenyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.