4-(3,4-Dimethoxyphenyl)-2-butanone
TL;DR: 4-(3,4-Dimethoxyphenyl)-2-butanone (CAS 6964-29-0) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)butan-2-one
Also Known As: Veratryl acetone, veratrylacetone, 4-(3,4-dimethoxyphenyl)butan-2-one, zingerone methyl ether, 4-(3,4-Dimethoxyphenyl)-2-butanone
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6964-29-0 |
|---|---|
| SMILES | CC(=O)CCC1=CC(=C(C=C1)OC)OC |
| InChIKey | RVTJUTXCUYSHAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,4-Dimethoxyphenyl)-2-butanone (CAS 6964-29-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)butan-2-one.
Chemical Property Profile of 4-(3,4-Dimethoxyphenyl)-2-butanone
Property Insights of 4-(3,4-Dimethoxyphenyl)-2-butanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethoxyphenyl)-2-butanone. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(3,4-Dimethoxyphenyl)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxyphenyl)-2-butanone 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-(3,4-Dimethoxyphenyl)-2-butanone?
The CAS number of 4-(3,4-Dimethoxyphenyl)-2-butanone is 6964-29-0.
What is the molecular formula of 4-(3,4-Dimethoxyphenyl)-2-butanone?
The molecular formula of 4-(3,4-Dimethoxyphenyl)-2-butanone is C12H16O3.
What is the molecular weight of 4-(3,4-Dimethoxyphenyl)-2-butanone?
The molecular weight of 4-(3,4-Dimethoxyphenyl)-2-butanone is 208.11 g/mol.
Where can I buy 4-(3,4-Dimethoxyphenyl)-2-butanone?
You can request a quote for 4-(3,4-Dimethoxyphenyl)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxyphenyl)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxyphenyl)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.