1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione
TL;DR: 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione (CAS 13282-23-0) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-hydroxy-5-methylphenyl)butane-1,4-dione
Also Known As: 1,4-bis(2-hydroxy-5-methylphenyl)-1,4-butanedione, 1,4-bis(2-hydroxy-5-methylphenyl)butane-1,4-dione, 1,4-bis(2-hydroxy-5-methyl-phenyl)butane-1,4-dione
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.56044 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 668.3622 |
Chemical Identifiers
| CAS Number | 13282-23-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)CCC(=O)C2=C(C=CC(=C2)C)O |
Product Overview
1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione (CAS 13282-23-0), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 1,4-bis(2-hydroxy-5-methylphenyl)butane-1,4-dione.
Chemical Property Profile of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione
Property Insights of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione
The XLogP value of 3.56044 indicates that 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione. Following Lipinski's Rule of Five, 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione has 2 hydrogen bond donor(s) and 4 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 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione?
The CAS number of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione is 13282-23-0.
What is the molecular formula of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione?
The molecular formula of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione is C18H18O4.
What is the molecular weight of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione?
The molecular weight of 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione is 298.12 g/mol.
Where can I buy 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione?
You can request a quote for 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-hydroxy-5-methylphenyl)butane-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.