3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-
TL;DR: 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- (CAS 6955-40-4) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4,5-trimethoxyphenyl)hexan-3-one
Also Known As: 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-, 4-(3,4,5-trimethoxyphenyl)hexan-3-one, 3-Hexanone,4-(3,4,5-trimethoxyphenyl)-, 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-,
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 6955-40-4 |
|---|---|
| SMILES | CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)CC |
| InChIKey | QBXJTIJLGPTTHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- (CAS 6955-40-4), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: 4-(3,4,5-trimethoxyphenyl)hexan-3-one.
Chemical Property Profile of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-
Property Insights of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-. With a topological polar surface area (TPSA) of 44.8 Ų, 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexanone, 4-(3,4,5-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 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-?
The CAS number of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- is 6955-40-4.
What is the molecular formula of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-?
The molecular formula of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- is C15H22O4.
What is the molecular weight of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-?
The molecular weight of 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- is 266.15 g/mol.
Where can I buy 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-?
You can request a quote for 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanone, 4-(3,4,5-trimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.