![N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide structure](/static/products/403/403660-13-9.png)
N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
TL;DR: N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (CAS 403660-13-9) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: AN-698/40748311, N'-(3-nitrobenzylidene)-2-(2-pyrimidinylthio)acetohydrazide, N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide, N'-[(E)-(3-nitrophenyl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide, N'-{3-nitrobenzylidene}-2-(2-pyrimidinylsulfanyl)acetohydrazide
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 1.6272 |
| Topological Polar Surface Area | 110.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 693.0847 |
Chemical Identifiers
| CAS Number | 403660-13-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CSC2=NC=CC=N2 |
Product Overview
N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (CAS 403660-13-9), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Property Insights of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
The XLogP value of 1.6272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide. The TPSA of 110.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide 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 N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The CAS number of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is 403660-13-9.
What is the molecular formula of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The molecular formula of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is C13H11N5O3S.
What is the molecular weight of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The molecular weight of N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is 317.06 g/mol.
Where can I buy N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
You can request a quote for N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-(3-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.