1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione
TL;DR: 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione (CAS 16636-64-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-5-methylphenyl)butane-1,3-dione
Also Known As: 1-(2-hydroxy-5-methylphenyl)butane-1,3-dione, 2'-Hydroxy-5'-methylacetoacetophenone, 1,3-Butanedione, 1-(2-hydroxy-5-methylphenyl)-, 1-(2-Hydroxy-5-methylphenyl)-1,3-butanedione, 2 -Hydroxy-5 -methylacetoacetophenone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 16636-64-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)CC(=O)C |
| InChIKey | RNWUHECBLXZHQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione (CAS 16636-64-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(2-hydroxy-5-methylphenyl)butane-1,3-dione.
Chemical Property Profile of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione
Property Insights of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione has 1 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-(2-Hydroxy-5-methylphenyl)butane-1,3-dione?
The CAS number of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione is 16636-64-9.
What is the molecular formula of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione?
The molecular formula of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione is C11H12O3.
What is the molecular weight of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione?
The molecular weight of 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione is 192.08 g/mol.
Where can I buy 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione?
You can request a quote for 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxy-5-methylphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.