2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-
TL;DR: 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- (CAS 72054-83-2) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxy-3-methylcyclohexa-2,5-dien-1-one
Also Known As: 4,4-dimethoxy-3-methylcyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-, 4,4-dimethoxy-3-methylcyclohexa-2,5-dienone, 3-Methyl-4,4-dimethoxy-2,5-cyclohexadien-1-one, 4,4-Dimethoxy-3-methyl-2,5-cyclohexadien-1-one
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 72054-83-2 |
|---|---|
| SMILES | CC1=CC(=O)C=CC1(OC)OC |
| InChIKey | MVPZVULCKPPSHO-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- (CAS 72054-83-2), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 4,4-dimethoxy-3-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-
Property Insights of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-. With a topological polar surface area (TPSA) of 35.5 Ų, 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- 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 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-?
The CAS number of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- is 72054-83-2.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- is C9H12O3.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- is 168.08 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4,4-dimethoxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.