![(E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide structure](/static/products/331/331948-23-3.png)
(E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide
TL;DR: (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide (CAS 331948-23-3) is a chemical compound with molecular formula C22H14ClN5O4S and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-3-nitrobenzamide
Also Known As: (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide, N'-({2-[(4-chlorophenyl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylene)-3-nitrobenzohydrazide, N'-[(E)-{2-[(4-chlorophenyl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene]-3-nitrobenzohydrazide, N-[(E)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-3-nitrobenzamide
| Molecular Formula | C22H14ClN5O4S |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 4.1712 |
| Topological Polar Surface Area | 118.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.0455 |
| Heavy Atoms | 33 |
| Complexity | 1453.6427 |
Chemical Identifiers
| CAS Number | 331948-23-3 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl |
Product Overview
(E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide (CAS 331948-23-3), with molecular formula C22H14ClN5O4S and molecular weight 479.05 g/mol. IUPAC: N-[(E)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-3-nitrobenzamide.
Chemical Property Profile of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide
Property Insights of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide
The XLogP value of 4.1712 indicates that (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide. Following Lipinski's Rule of Five, (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide has 1 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)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide?
The CAS number of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide is 331948-23-3.
What is the molecular formula of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide?
The molecular formula of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide is C22H14ClN5O4S.
What is the molecular weight of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide?
The molecular weight of (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide is 479.05 g/mol.
Where can I buy (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide?
You can request a quote for (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-((2-((4-chlorophenyl)thio)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-nitrobenzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.