4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione
TL;DR: 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione (CAS 502182-46-9) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione
Also Known As: 4-hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-HYDROXY-3,6-DIMETHYL-5-(3-OXOBUTYL)-, 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-3,6-dimethyl-5-(3-oxobutyl)- (9CI)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 502182-46-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=O)C1=O)C)O)CCC(=O)C |
| InChIKey | MZYCZBITIPTUAI-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione (CAS 502182-46-9), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione
Property Insights of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione
The XLogP value of -0.1 indicates that 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione. Following Lipinski's Rule of Five, 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione has 1 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 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione?
The CAS number of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione is 502182-46-9.
What is the molecular formula of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione?
The molecular formula of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione is C12H14O4.
What is the molecular weight of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione?
The molecular weight of 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione is 222.09 g/mol.
Where can I buy 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione?
You can request a quote for 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3,6-dimethyl-5-(3-oxobutyl)cyclohexa-3,5-diene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.