1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)
TL;DR: 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) (CAS 3098-67-7) 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-(5-acetyl-2,4-dimethoxyphenyl)ethanone
Also Known As: 1-(5-acetyl-2,4-dimethoxyphenyl)ethanone, Prilocaine Impurity N2, 1,3-Diacetyl-4,6-dimethoxybenzene, 1-(5-acetyl-2,4-dimethoxyphenyl)ethan-1-one, Ethanone, 1,1'-(4,6-dimethoxy-1,3-phenylene)bis-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.109 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 397.64005 |
Chemical Identifiers
| CAS Number | 3098-67-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1OC)OC)C(=O)C |
Product Overview
1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) (CAS 3098-67-7), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-(5-acetyl-2,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)
Property Insights of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)
The XLogP value of 2.109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one). With a topological polar surface area (TPSA) of 52.6 Ų, 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(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 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)?
The CAS number of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) is 3098-67-7.
What is the molecular formula of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)?
The molecular formula of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) is C12H14O4.
What is the molecular weight of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)?
The molecular weight of 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) is 222.09 g/mol.
Where can I buy 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)?
You can request a quote for 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(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 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4,6-Dimethoxy-1,3-phenylene)di(ethan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.