![4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide structure](/static/products/4503/450345-56-9.webp)
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
TL;DR: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide (CAS 450345-56-9) is a chemical compound with molecular formula C14H12N8O4S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Also Known As: AB00356255-02, 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide, 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide, 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-(pyrimidin-2-yl)benzenesulfonamide
| Molecular Formula | C14H12N8O4S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 1.3014 |
| Topological Polar Surface Area | 178.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.07022 |
| Heavy Atoms | 27 |
| Complexity | 1074.0312 |
Chemical Identifiers
| CAS Number | 450345-56-9 |
|---|---|
| SMILES | C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N |
Product Overview
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide (CAS 450345-56-9), with molecular formula C14H12N8O4S and molecular weight 388.07 g/mol. IUPAC: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide.
Chemical Property Profile of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Property Insights of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
The XLogP value of 1.3014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide. The TPSA of 178.92 Ų indicates high polarity, suggesting 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide has 3 hydrogen bond donor(s) and 10 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 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The CAS number of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide is 450345-56-9.
What is the molecular formula of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The molecular formula of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide is C14H12N8O4S.
What is the molecular weight of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide?
The molecular weight of 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide is 388.07 g/mol.
Where can I buy 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide?
You can request a quote for 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.