2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-
TL;DR: 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- (CAS 76554-27-3) is a chemical compound with molecular formula C18H18O4S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
Also Known As: Afrigilimycin A, RO 09-0204, 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-, (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
| Molecular Formula | C18H18O4S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 4.0274 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.0926 |
| Heavy Atoms | 23 |
| Complexity | 720.5466 |
Chemical Identifiers
| CAS Number | 76554-27-3 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)SC)O |
Product Overview
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- (CAS 76554-27-3), with molecular formula C18H18O4S and molecular weight 330.09 g/mol. IUPAC: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one.
Chemical Property Profile of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-
Property Insights of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-
The XLogP value of 4.0274 indicates that 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- has 1 hydrogen bond donor(s) and 5 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-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-?
The CAS number of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- is 76554-27-3.
What is the molecular formula of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-?
The molecular formula of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- is C18H18O4S.
What is the molecular weight of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-?
The molecular weight of 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- is 330.09 g/mol.
Where can I buy 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-?
You can request a quote for 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-(methylthio)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.