![3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide structure](/static/products/926/92644-27-4.png)
3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide
TL;DR: 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide (CAS 92644-27-4) is a chemical compound with molecular formula C12H9N5O4S and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide
Also Known As: 3-nitro-N'-[(Z)-(6-oxo-2-sulfanylidenepyrimidin-5-ylidene)me
| Molecular Formula | C12H9N5O4S |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 1.10459 |
| Topological Polar Surface Area | 133.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.03754 |
| Heavy Atoms | 22 |
| Complexity | 870.0606 |
Chemical Identifiers
| CAS Number | 92644-27-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN=CC2=CNC(=S)NC2=O |
Product Overview
3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide (CAS 92644-27-4), with molecular formula C12H9N5O4S and molecular weight 319.04 g/mol. IUPAC: 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide.
Chemical Property Profile of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide
Property Insights of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide
The XLogP value of 1.10459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide. The TPSA of 133.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide. Following Lipinski's Rule of Five, 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide has 3 hydrogen bond donor(s) and 6 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 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide?
The CAS number of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide is 92644-27-4.
What is the molecular formula of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide?
The molecular formula of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide is C12H9N5O4S.
What is the molecular weight of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide?
The molecular weight of 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide is 319.04 g/mol.
Where can I buy 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide?
You can request a quote for 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.