4,4-Dimethoxy-2,5-cyclohexadien-1-one
TL;DR: 4,4-Dimethoxy-2,5-cyclohexadien-1-one (CAS 935-50-2) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxycyclohexa-2,5-dien-1-one
Also Known As: 4,4-Dimethoxy-2,5-cyclohexadien-1-one, 4,5-dienone, 4,4-dimethoxycyclohexa-2,5-dien-1-one, benzoquinone dimethylmonoacetal, p-Benzoquinone mono(dimethyl acetal)
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 935-50-2 |
|---|---|
| SMILES | COC1(C=CC(=O)C=C1)OC |
| InChIKey | AVZOEZMUNZGWLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethoxy-2,5-cyclohexadien-1-one (CAS 935-50-2), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 4,4-dimethoxycyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4,4-Dimethoxy-2,5-cyclohexadien-1-one
Property Insights of 4,4-Dimethoxy-2,5-cyclohexadien-1-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxy-2,5-cyclohexadien-1-one. With a topological polar surface area (TPSA) of 35.5 Ų, 4,4-Dimethoxy-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxy-2,5-cyclohexadien-1-one has 0 hydrogen bond donor(s) and 3 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-Dimethoxy-2,5-cyclohexadien-1-one?
The CAS number of 4,4-Dimethoxy-2,5-cyclohexadien-1-one is 935-50-2.
What is the molecular formula of 4,4-Dimethoxy-2,5-cyclohexadien-1-one?
The molecular formula of 4,4-Dimethoxy-2,5-cyclohexadien-1-one is C8H10O3.
What is the molecular weight of 4,4-Dimethoxy-2,5-cyclohexadien-1-one?
The molecular weight of 4,4-Dimethoxy-2,5-cyclohexadien-1-one is 154.06 g/mol.
Where can I buy 4,4-Dimethoxy-2,5-cyclohexadien-1-one?
You can request a quote for 4,4-Dimethoxy-2,5-cyclohexadien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxy-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxy-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.