(5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 593271-42-2) is a chemical compound with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H17ClN2O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 3.49692 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.05975 |
| Heavy Atoms | 28 |
| Complexity | 1019.26044 |
Chemical Identifiers
| CAS Number | 593271-42-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=C(C=CC(=C3)OC)OC)/C(=O)NC2=S |
Product Overview
(5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 593271-42-2), with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol. IUPAC: (5E)-1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.49692 indicates that (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 5 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 (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 593271-42-2.
What is the molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C20H17ClN2O4S.
What is the molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 416.06 g/mol.
Where can I buy (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-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 (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3-chloro-2-methylphenyl)-5-(2,5-dimethoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.