(5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione (CAS 347388-40-3) is a chemical compound with molecular formula C20H17FN2O5S and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione, (Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione, (5Z)-1-(2-fluorophenyl)-2-sulfanyl-5-(3,4,5-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione, (5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
| Molecular Formula | C20H17FN2O5S |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 2.6828 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08423 |
| Heavy Atoms | 29 |
| Complexity | 1012.2768 |
Chemical Identifiers
| CAS Number | 347388-40-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F |
Product Overview
(5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione (CAS 347388-40-3), with molecular formula C20H17FN2O5S and molecular weight 416.08 g/mol. IUPAC: (5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.6828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione has 1 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 (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione is 347388-40-3.
What is the molecular formula of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione is C20H17FN2O5S.
What is the molecular weight of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione is 416.08 g/mol.
Where can I buy (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(2-fluorophenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.