5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane
TL;DR: 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane (CAS 111885-18-8) is a chemical compound with molecular formula C24H29NO5S and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholin-4-ylpentyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane, Thiomorpholine, 4-(5-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-5-phenylpentyl)-, 2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholin-4-ylpentyl)cyclohexa-2,5-diene-1,4-dione, 2,3-Dimethoxy-5-methyl-6-[5-oxo-1-phenyl-5-(thiomorpholin-4-yl)pentyl]cyclohexa-2,5-diene-1,4-dione, RefChem:385186
| Molecular Formula | C24H29NO5S |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 3.4886 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.17664 |
| Heavy Atoms | 31 |
| Complexity | 899.80457 |
Chemical Identifiers
| CAS Number | 111885-18-8 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCSCC2)C3=CC=CC=C3 |
Product Overview
5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane (CAS 111885-18-8), with molecular formula C24H29NO5S and molecular weight 443.18 g/mol. IUPAC: 2,3-dimethoxy-5-methyl-6-(5-oxo-1-phenyl-5-thiomorpholin-4-ylpentyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane
Property Insights of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane
The XLogP value of 3.4886 indicates that 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane 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 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane 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 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane?
The CAS number of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane is 111885-18-8.
What is the molecular formula of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane?
The molecular formula of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane is C24H29NO5S.
What is the molecular weight of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane?
The molecular weight of 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane is 443.18 g/mol.
Where can I buy 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane?
You can request a quote for 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-thiomorpholino-1-oxopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.