1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone
TL;DR: 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone (CAS 67239-25-2) 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-dihydroxyphenyl)-3-methylbutan-1-one
Also Known As: 3',4'-Dihydroxyisovalerophenone, NCIOpen2_000013, 1-Isovaleryl-3,4-dihydroxybenzene, Isovalerophenone,4'-dihydroxy-, 1-(3,4-DIHYDROXYPHENYL)-3-METHYL-1-BUTANONE
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 67239-25-2 |
|---|---|
| SMILES | CC(C)CC(=O)C1=CC(=C(C=C1)O)O |
| InChIKey | HREXKWZQGPMOCU-UHFFFAOYSA-N |
Product Overview
1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone (CAS 67239-25-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-3-methylbutan-1-one.
Chemical Property Profile of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone
Property Insights of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone. With a topological polar surface area (TPSA) of 57.5 Ų, 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone 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)-3-methyl-1-Butanone?
The CAS number of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone is 67239-25-2.
What is the molecular formula of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone?
The molecular formula of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone is C11H14O3.
What is the molecular weight of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone?
The molecular weight of 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone is 194.09 g/mol.
Where can I buy 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone?
You can request a quote for 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone 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)-3-methyl-1-Butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroxyphenyl)-3-methyl-1-Butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.