1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-
TL;DR: 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- (CAS 66596-37-0) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,4,5-trimethoxyphenyl)hept-1-en-3-one
Also Known As: 1-(3,4,5-Trimethoxyphenyl)-1-hepten-3-one, 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-, (E)-1-(3,4,5-trimethoxyphenyl)hept-1-en-3-one, RefChem:1055508
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.4849 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 452.36038 |
Chemical Identifiers
| CAS Number | 66596-37-0 |
|---|---|
| SMILES | CCCCC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- (CAS 66596-37-0), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: (E)-1-(3,4,5-trimethoxyphenyl)hept-1-en-3-one.
Chemical Property Profile of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-
Property Insights of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-
The XLogP value of 3.4849 indicates that 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hepten-3-one, 1-(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 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-?
The CAS number of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- is 66596-37-0.
What is the molecular formula of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-?
The molecular formula of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- is C16H22O4.
What is the molecular weight of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-?
The molecular weight of 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- is 278.15 g/mol.
Where can I buy 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-?
You can request a quote for 1-Hepten-3-one, 1-(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 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hepten-3-one, 1-(3,4,5-trimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.