![1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one structure](/static/products/6911/69114-02-9.webp)
1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one
TL;DR: 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one (CAS 69114-02-9) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone
Also Known As: 1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone, 1-(3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl)ethanone, 1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethan-1-one, 1-{3-methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one, ethyl 3-cyclopentyl-4-nitroisoxazole-5-carboxylate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6754 |
| Topological Polar Surface Area | 48.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 396.00528 |
Chemical Identifiers
| CAS Number | 69114-02-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OCC2CO2)OC |
Product Overview
1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one (CAS 69114-02-9), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone.
Chemical Property Profile of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one
Property Insights of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one
The XLogP value of 1.6754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one. With a topological polar surface area (TPSA) of 48.06 Ų, 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one 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-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one?
The CAS number of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one is 69114-02-9.
What is the molecular formula of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one?
The molecular formula of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one is C12H14O4.
What is the molecular weight of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one?
The molecular weight of 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one is 222.09 g/mol.
Where can I buy 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one?
You can request a quote for 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-Methoxy-4-[(oxiran-2-yl)methoxy]phenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.