![Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- structure](/static/products/353/353277-23-3.png)
Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
TL;DR: Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- (CAS 353277-23-3) is a chemical compound with molecular formula C8H7N5O2S and molecular weight 237.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine
Also Known As: ML068 Analog, 4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine, Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-, AJ-333/09215056, 4-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)pyrimidine
| Molecular Formula | C8H7N5O2S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.03204 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 353277-23-3 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC=NC=C2)[N+](=O)[O-] |
| InChIKey | LDAZFWARDNTLSI-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- (CAS 353277-23-3), with molecular formula C8H7N5O2S and molecular weight 237.03 g/mol. IUPAC: 4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine.
Chemical Property Profile of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
Property Insights of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-. Following Lipinski's Rule of Five, Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- has 0 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 Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The CAS number of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- is 353277-23-3.
What is the molecular formula of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The molecular formula of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- is C8H7N5O2S.
What is the molecular weight of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The molecular weight of Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- is 237.03 g/mol.
Where can I buy Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
You can request a quote for Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.