Propanethioamide, N-methyl-N-phenyl-
TL;DR: Propanethioamide, N-methyl-N-phenyl- (CAS 5310-08-7) is a chemical compound with molecular formula C26H22FNO6S3 and molecular weight 559.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: Propanethioamide, N-methyl-N-phenyl-, BAS 00268293, Propanethioamide, N-methyl-N-phenyl-, BIM-0016768.P001, dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H22FNO6S3 |
|---|---|
| Molecular Weight | 559.06 g/mol |
| LogP | 5.3494 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 559.0593 |
| Heavy Atoms | 37 |
| Complexity | 1384.7721 |
Chemical Identifiers
| CAS Number | 5310-08-7 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC(=CC=C4)F)C=CC(=C3)OC)C |
Product Overview
Propanethioamide, N-methyl-N-phenyl- (CAS 5310-08-7), with molecular formula C26H22FNO6S3 and molecular weight 559.06 g/mol. IUPAC: dimethyl 2-[1-(3-fluorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of Propanethioamide, N-methyl-N-phenyl-
Property Insights of Propanethioamide, N-methyl-N-phenyl-
The XLogP value of 5.3494 indicates that Propanethioamide, N-methyl-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanethioamide, N-methyl-N-phenyl-. Following Lipinski's Rule of Five, Propanethioamide, N-methyl-N-phenyl- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanethioamide, N-methyl-N-phenyl-?
The CAS number of Propanethioamide, N-methyl-N-phenyl- is 5310-08-7.
What is the molecular formula of Propanethioamide, N-methyl-N-phenyl-?
The molecular formula of Propanethioamide, N-methyl-N-phenyl- is C26H22FNO6S3.
What is the molecular weight of Propanethioamide, N-methyl-N-phenyl-?
The molecular weight of Propanethioamide, N-methyl-N-phenyl- is 559.06 g/mol.
Where can I buy Propanethioamide, N-methyl-N-phenyl-?
You can request a quote for Propanethioamide, N-methyl-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethioamide, N-methyl-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Propanethioamide, N-methyl-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.