4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane
TL;DR: 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane (CAS 111885-17-7) is a chemical compound with molecular formula C23H27NO5S and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-methyl-6-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane, Thiomorpholine, 4-(4-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-4-phenylbutyl)-, 2,3-Dimethoxy-5-methyl-6-[4-oxo-1-phenyl-4-(thiomorpholin-4-yl)butyl]cyclohexa-2,5-diene-1,4-dione, 2-Methyl-5,6-dimethoxy-3-(4-oxo-1-phenyl-4-thiomorpholinobutyl)-1,4-benzoquinone, 2,3-dimethoxy-5-methyl-6-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 3.0985 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 884.1144 |
Chemical Identifiers
| CAS Number | 111885-17-7 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCC(=O)N2CCSCC2)C3=CC=CC=C3 |
Product Overview
4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane (CAS 111885-17-7), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: 2,3-dimethoxy-5-methyl-6-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane
Property Insights of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane
The XLogP value of 3.0985 indicates that 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane 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 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane?
The CAS number of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane is 111885-17-7.
What is the molecular formula of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane?
The molecular formula of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane is C23H27NO5S.
What is the molecular weight of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane?
The molecular weight of 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane is 429.16 g/mol.
Where can I buy 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane?
You can request a quote for 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenyl-1-thiomorpholino-1-oxobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.