![3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone structure](/static/products/4778/477865-72-8.webp)
3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone
TL;DR: 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone (CAS 477865-72-8) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-oxobutan-2-yloxy)phenoxy]butan-2-one
Also Known As: 3-{4-[(3-oxobutan-2-yl)oxy]phenoxy}butan-2-one, 3-[4-(1-methyl-2-oxopropoxy)phenoxy]-2-butanone, 3-(4-(1-Methyl-2-oxopropoxy)phenoxy)-2-butanone, 3-[4-(3-oxobutan-2-yloxy)phenoxy]butan-2-one, 1L-090
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.3992 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 380.92505 |
Chemical Identifiers
| CAS Number | 477865-72-8 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC=C(C=C1)OC(C)C(=O)C |
Product Overview
3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone (CAS 477865-72-8), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 3-[4-(3-oxobutan-2-yloxy)phenoxy]butan-2-one.
Chemical Property Profile of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone
Property Insights of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone
The XLogP value of 2.3992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone. With a topological polar surface area (TPSA) of 52.6 Ų, 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone 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-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone?
The CAS number of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone is 477865-72-8.
What is the molecular formula of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone?
The molecular formula of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone is C14H18O4.
What is the molecular weight of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone?
The molecular weight of 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone is 250.12 g/mol.
Where can I buy 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone?
You can request a quote for 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1-Methyl-2-oxopropoxy)phenoxy]-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.