(E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 372980-05-7) is a chemical compound with molecular formula C18H12Cl2N2O2S and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,6-dichlorophenyl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2,6-dichlorophenyl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H12Cl2N2O2S |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 4.13312 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.99966 |
| Heavy Atoms | 25 |
| Complexity | 920.17334 |
Chemical Identifiers
| CAS Number | 372980-05-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/C(=O)NC2=S |
Product Overview
(E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 372980-05-7), with molecular formula C18H12Cl2N2O2S and molecular weight 390.00 g/mol. IUPAC: (5E)-5-[(2,6-dichlorophenyl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.13312 indicates that (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 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 (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is 372980-05-7.
What is the molecular formula of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is C18H12Cl2N2O2S.
What is the molecular weight of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione is 390.00 g/mol.
Where can I buy (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)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 (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2,6-dichlorobenzylidene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.