3-(2,4,6-Trimethoxyphenyl)-2-butanone
TL;DR: 3-(2,4,6-Trimethoxyphenyl)-2-butanone (CAS 26537-69-9) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trimethoxyphenyl)butan-2-one
Also Known As: 3-(2,4,6-trimethoxyphenyl)butan-2-one, 3-(2,4,6-Trimethoxyphenyl)-2-butanone, 2-Butanone, 3-(2,4,6-trimethoxyphenyl)-, 3-(2,4,6-Trimethoxyphenyl)-2-butanone #, 2-Propanone, 1-methyl-1-(2,4,6-trimethoxyphenyl)
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 26537-69-9 |
|---|---|
| SMILES | CC(C1=C(C=C(C=C1OC)OC)OC)C(=O)C |
| InChIKey | PYDHRQFLYMIYEB-UHFFFAOYSA-N |
Product Overview
3-(2,4,6-Trimethoxyphenyl)-2-butanone (CAS 26537-69-9), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 3-(2,4,6-trimethoxyphenyl)butan-2-one.
Chemical Property Profile of 3-(2,4,6-Trimethoxyphenyl)-2-butanone
Property Insights of 3-(2,4,6-Trimethoxyphenyl)-2-butanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,6-Trimethoxyphenyl)-2-butanone. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(2,4,6-Trimethoxyphenyl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4,6-Trimethoxyphenyl)-2-butanone has 0 hydrogen bond donor(s) and 4 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-(2,4,6-Trimethoxyphenyl)-2-butanone?
The CAS number of 3-(2,4,6-Trimethoxyphenyl)-2-butanone is 26537-69-9.
What is the molecular formula of 3-(2,4,6-Trimethoxyphenyl)-2-butanone?
The molecular formula of 3-(2,4,6-Trimethoxyphenyl)-2-butanone is C13H18O4.
What is the molecular weight of 3-(2,4,6-Trimethoxyphenyl)-2-butanone?
The molecular weight of 3-(2,4,6-Trimethoxyphenyl)-2-butanone is 238.12 g/mol.
Where can I buy 3-(2,4,6-Trimethoxyphenyl)-2-butanone?
You can request a quote for 3-(2,4,6-Trimethoxyphenyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,6-Trimethoxyphenyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,6-Trimethoxyphenyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.