2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one
TL;DR: 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one (CAS 858255-78-4) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dihydroxy-1-(3,4,5-trimethoxyphenyl)ethanone
Also Known As: 3,4,5-Trimethoxyphenylglyoxal hydrate, ?3,4,5-Trimethoxyphenylglyoxal hydrate, 3,4,5-trimethoxyphenyl-glyoxal hydrate, 2,2-dihydroxy-1-(3,4,5-trimethoxyphenyl)ethanone, X-4444
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 858255-78-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)C(O)O |
| InChIKey | CPLQGQCQVDBPJB-UHFFFAOYSA-N |
Product Overview
2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one (CAS 858255-78-4), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: 2,2-dihydroxy-1-(3,4,5-trimethoxyphenyl)ethanone.
Chemical Property Profile of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one
Property Insights of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one. Following Lipinski's Rule of Five, 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one has 2 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 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one?
The CAS number of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one is 858255-78-4.
What is the molecular formula of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one?
The molecular formula of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one is C11H14O6.
What is the molecular weight of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one?
The molecular weight of 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one is 242.08 g/mol.
Where can I buy 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one?
You can request a quote for 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dihydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.