2',4'-Dihydroxy-3'-methylbutyrophenone
TL;DR: 2',4'-Dihydroxy-3'-methylbutyrophenone (CAS 93970-93-5) 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-(2,4-dihydroxy-3-methylphenyl)butan-1-one
Also Known As: 2',4'-Dihydroxy-3'-methylbutyrophenone, CJDDRLSUHGAYKY-UHFFFAOYSA-, 1-(2,4-dihydroxy-3-methylphenyl)butan-1-one, 2 ,4 -Dihydroxy-3 -methylbutyrophenone, 1-(2,4-Dihydroxy-3-methyl-phenyl)-butan-1-one
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.6 |
| 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 | 203.0 |
Chemical Identifiers
| CAS Number | 93970-93-5 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C=C1)O)C)O |
| InChIKey | CJDDRLSUHGAYKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',4'-Dihydroxy-3'-methylbutyrophenone (CAS 93970-93-5), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-(2,4-dihydroxy-3-methylphenyl)butan-1-one.
Chemical Property Profile of 2',4'-Dihydroxy-3'-methylbutyrophenone
Property Insights of 2',4'-Dihydroxy-3'-methylbutyrophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4'-Dihydroxy-3'-methylbutyrophenone. With a topological polar surface area (TPSA) of 57.5 Ų, 2',4'-Dihydroxy-3'-methylbutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',4'-Dihydroxy-3'-methylbutyrophenone 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 2',4'-Dihydroxy-3'-methylbutyrophenone?
The CAS number of 2',4'-Dihydroxy-3'-methylbutyrophenone is 93970-93-5.
What is the molecular formula of 2',4'-Dihydroxy-3'-methylbutyrophenone?
The molecular formula of 2',4'-Dihydroxy-3'-methylbutyrophenone is C11H14O3.
What is the molecular weight of 2',4'-Dihydroxy-3'-methylbutyrophenone?
The molecular weight of 2',4'-Dihydroxy-3'-methylbutyrophenone is 194.09 g/mol.
Where can I buy 2',4'-Dihydroxy-3'-methylbutyrophenone?
You can request a quote for 2',4'-Dihydroxy-3'-methylbutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4'-Dihydroxy-3'-methylbutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',4'-Dihydroxy-3'-methylbutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.