4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate
TL;DR: 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate (CAS 415689-01-9) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl] acetate
Also Known As: CDS1_003804, BIM-0017579.P001, 4-(4-methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate, (E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl acetate, [(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl] acetate
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.6192 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 483.37198 |
Chemical Identifiers
| CAS Number | 415689-01-9 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)OC |
Product Overview
4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate (CAS 415689-01-9), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: [(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl] acetate.
Chemical Property Profile of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate
Property Insights of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate
The XLogP value of 2.6192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate 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 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate?
The CAS number of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate is 415689-01-9.
What is the molecular formula of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate?
The molecular formula of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate is C15H18O4.
What is the molecular weight of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate?
The molecular weight of 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate is 262.12 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate?
You can request a quote for 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-1,1-dimethyl-2-oxo-3-butenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.