2-Propanone, 1-(3,4-dimethoxyphenyl)-
TL;DR: 2-Propanone, 1-(3,4-dimethoxyphenyl)- (CAS 776-99-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)propan-2-one
Also Known As: 3,4-Dimethoxyphenylacetone, (3,4-Dimethoxyphenyl)acetone, 1-(3,4-dimethoxyphenyl)propan-2-one, Veratryl acetone, Veratryl-2-propanone
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 776-99-8 |
|---|---|
| SMILES | CC(=O)CC1=CC(=C(C=C1)OC)OC |
| InChIKey | UMYZWICEDUEWIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1-(3,4-dimethoxyphenyl)- (CAS 776-99-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(3,4-dimethoxyphenyl)-
Property Insights of 2-Propanone, 1-(3,4-dimethoxyphenyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(3,4-dimethoxyphenyl)-. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propanone, 1-(3,4-dimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-(3,4-dimethoxyphenyl)- 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-Propanone, 1-(3,4-dimethoxyphenyl)-?
The CAS number of 2-Propanone, 1-(3,4-dimethoxyphenyl)- is 776-99-8.
What is the molecular formula of 2-Propanone, 1-(3,4-dimethoxyphenyl)-?
The molecular formula of 2-Propanone, 1-(3,4-dimethoxyphenyl)- is C11H14O3.
What is the molecular weight of 2-Propanone, 1-(3,4-dimethoxyphenyl)-?
The molecular weight of 2-Propanone, 1-(3,4-dimethoxyphenyl)- is 194.09 g/mol.
Where can I buy 2-Propanone, 1-(3,4-dimethoxyphenyl)-?
You can request a quote for 2-Propanone, 1-(3,4-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(3,4-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(3,4-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.