3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate
TL;DR: 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate (CAS 26818-10-0) is a chemical compound with molecular formula C11H12O6 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutan-2-yl 3,4,5-trihydroxybenzoate
Also Known As: 3-oxobutan-2-yl 3,4,5-trihydroxybenzoate, 1-Methyl-2-oxopropyl 3,4,5-trihydroxybenzoate, 1-Methyl-2-oxopropyl 3,4,5-trihydroxybenzoate #, Benzoic acid, 3,4,5-trihydroxy-, 1-methyl-2-oxopropyl ester, 3,4,5-Trihydroxybenzoic acid 1-methyl-2-oxopropyl ester
| Molecular Formula | C11H12O6 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.06339 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 26818-10-0 |
|---|---|
| SMILES | CC(C(=O)C)OC(=O)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | QGHKLYWATOLWIR-UHFFFAOYSA-N |
Product Overview
3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate (CAS 26818-10-0), with molecular formula C11H12O6 and molecular weight 240.06 g/mol. IUPAC: 3-oxobutan-2-yl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate
Property Insights of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate. Following Lipinski's Rule of Five, 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate has 3 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 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate?
The CAS number of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate is 26818-10-0.
What is the molecular formula of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate?
The molecular formula of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate is C11H12O6.
What is the molecular weight of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate?
The molecular weight of 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate is 240.06 g/mol.
Where can I buy 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate?
You can request a quote for 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.