N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
TL;DR: N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide (CAS 22604-10-0) is a chemical compound with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
Also Known As: N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide, n-[4-(benzylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
| Molecular Formula | C13H12N4O4S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.05792 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 22604-10-0 |
|---|---|
| SMILES | CC(=O)NC1=NC(=C(C(=O)N1)[N+](=O)[O-])SCC2=CC=CC=C2 |
| InChIKey | AKUOIRZWRLSYEA-UHFFFAOYSA-N |
Product Overview
N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide (CAS 22604-10-0), with molecular formula C13H12N4O4S and molecular weight 320.06 g/mol. IUPAC: N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide.
Chemical Property Profile of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
Property Insights of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide. The TPSA of 142.0 Ų indicates high polarity, suggesting N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide has 2 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 N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The CAS number of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide is 22604-10-0.
What is the molecular formula of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The molecular formula of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide is C13H12N4O4S.
What is the molecular weight of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The molecular weight of N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide is 320.06 g/mol.
Where can I buy N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
You can request a quote for N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-benzylsulfanyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.