(E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
TL;DR: (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 799794-69-7) is a chemical compound with molecular formula C18H13Cl2N5O4S and molecular weight 465.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[6-chloro-3-[(2-chloro-5-nitrophenyl)methylideneamino]-2-pyridinyl]sulfanyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 6-[(6-chloro-3-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}pyridin-2-yl)sulfanyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 6-[6-chloro-3-[(2-chloro-5-nitrophenyl)methylideneamino]pyridin-2-yl]sulfanyl-1,3-dimethylpyrimidine-2,4-dione
| Molecular Formula | C18H13Cl2N5O4S |
|---|---|
| Molecular Weight | 465.01 g/mol |
| LogP | 3.5958 |
| Topological Polar Surface Area | 112.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.00653 |
| Heavy Atoms | 30 |
| Complexity | 1302.7098 |
Chemical Identifiers
| CAS Number | 799794-69-7 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)SC2=C(C=CC(=N2)Cl)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
(E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 799794-69-7), with molecular formula C18H13Cl2N5O4S and molecular weight 465.01 g/mol. IUPAC: 6-[[6-chloro-3-[(2-chloro-5-nitrophenyl)methylideneamino]-2-pyridinyl]sulfanyl]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Property Insights of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.5958 indicates that (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 7 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)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 799794-69-7.
What is the molecular formula of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is C18H13Cl2N5O4S.
What is the molecular weight of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione is 465.01 g/mol.
Where can I buy (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-((6-chloro-3-((2-chloro-5-nitrobenzylidene)amino)pyridin-2-yl)thio)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.