3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone
TL;DR: 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone (CAS 72744-93-5) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyl-4,5-dimorpholin-4-ylcyclohexa-3,5-diene-1,2-dione
Also Known As: 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone, 3,6-dimethyl-4,5-dimorpholino-1,2-benzoquinone, 3,5-Cyclohexadiene-1,2-dione, 3,6-dimethyl-4,5-di-4-morpholinyl-, 3,6-DIMETHYL-4,5-DI-4-MORPHOLINYL-3,5-CYCLOHEXADIENE-1,2-DIONE, 2,5-Dimethyl-3,4-dimorpholin-4-yl-cyclohexa-2,4-diene-1,6-dione
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 72744-93-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=O)C1=O)C)N2CCOCC2)N3CCOCC3 |
| InChIKey | NGXHJLXTUYWSDS-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone (CAS 72744-93-5), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: 3,6-dimethyl-4,5-dimorpholin-4-ylcyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone
Property Insights of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone. With a topological polar surface area (TPSA) of 59.1 Ų, 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone has 0 hydrogen bond donor(s) and 6 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 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone?
The CAS number of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone is 72744-93-5.
What is the molecular formula of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone?
The molecular formula of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone is C16H22N2O4.
What is the molecular weight of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone?
The molecular weight of 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone is 306.16 g/mol.
Where can I buy 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone?
You can request a quote for 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-4,5-di(4-morpholinyl)benzo-1,2-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.