1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one
TL;DR: 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one (CAS 67114-29-8) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one
Also Known As: 1-(3,4-dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one, 3',4'-Dihydroxy-2-ethyl-3-methylbutyrophenone, BUTYROPHENONE, 3',4'-DIHYDROXY-2-ETHYL-3-METHYL-, 1-Butanone, 1-(3,4-dihydroxyphenyl)-2-ethyl-3-methyl-, 3 ,4 -Dihydroxy-alpha-ethyl-beta-methylbutyrophenone
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 67114-29-8 |
|---|---|
| SMILES | CCC(C(C)C)C(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | VPPGKTFYMWNQDC-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one (CAS 67114-29-8), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one
Property Insights of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one
The XLogP value of 3.1 indicates that 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one has 2 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 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one?
The CAS number of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one is 67114-29-8.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one is C13H18O3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one is 222.13 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-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-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-2-ethyl-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.