6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone
TL;DR: 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone (CAS 124755-19-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-6-(1-hydroxy-2-methylpropan-2-yl)-4-methylidenecyclohexa-2,5-dien-1-one
Also Known As: QM-OH, Levothyroxine Impurity 49, 6-tert-Butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohedanedienone, 2-tert-butyl-6-(1-hydroxy-2-methylpropan-2-yl)-4-methylidenecyclohexa-2,5-dien-1-one, 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 124755-19-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C)C=C(C1=O)C(C)(C)CO |
| InChIKey | QRQJVVYMEPKXOD-UHFFFAOYSA-N |
Product Overview
6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone (CAS 124755-19-7), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-tert-butyl-6-(1-hydroxy-2-methylpropan-2-yl)-4-methylidenecyclohexa-2,5-dien-1-one.
Chemical Property Profile of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone
Property Insights of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone
The XLogP value of 3.3 indicates that 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone has 1 hydrogen bond donor(s) and 2 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 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone?
The CAS number of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone is 124755-19-7.
What is the molecular formula of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone?
The molecular formula of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone is C15H22O2.
What is the molecular weight of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone?
The molecular weight of 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone is 234.16 g/mol.
Where can I buy 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone?
You can request a quote for 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-2-(hydroxy-tert-butyl)-4-methylene-2,5-cyclohexadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.