2-Butanone, 4-(2,4,6-trimethoxyphenyl)-
TL;DR: 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- (CAS 53581-92-3) 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.
4-(2,4,6-trimethoxyphenyl)butan-2-one
Also Known As: 4-(2,4,6-trimethoxyphenyl)butan-2-one, 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-, 2-Butanone,4-(2,4,6-trimethoxyphenyl), 1,3,5-Trimethoxy-2-(3-oxobutyl)benzene, 1-(3-Oxobutyl)-2,4,6-trimethoxybenzene
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 53581-92-3 |
|---|---|
| SMILES | CC(=O)CCC1=C(C=C(C=C1OC)OC)OC |
| InChIKey | JQMULQORVMCMQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 4-(2,4,6-trimethoxyphenyl)- (CAS 53581-92-3), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 4-(2,4,6-trimethoxyphenyl)butan-2-one.
Chemical Property Profile of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-
Property Insights of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- 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 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-?
The CAS number of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- is 53581-92-3.
What is the molecular formula of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-?
The molecular formula of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- is C13H18O4.
What is the molecular weight of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-?
The molecular weight of 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- is 238.12 g/mol.
Where can I buy 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-?
You can request a quote for 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 4-(2,4,6-trimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-(2,4,6-trimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.