Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 110579-04-9) is a chemical compound with molecular formula C15H15N5O5S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile
Also Known As: Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-, 3-((1-((4-Methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile, AE-848/31943047, 3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile, 3-[[1-[(4-Methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl]thio]propanenitrile
| Molecular Formula | C15H15N5O5S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.0706 |
| Topological Polar Surface Area | 137.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.07938 |
| Heavy Atoms | 26 |
| Complexity | 889.2828 |
Chemical Identifiers
| CAS Number | 110579-04-9 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCCC#N)[N+](=O)[O-] |
Product Overview
Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 110579-04-9), with molecular formula C15H15N5O5S and molecular weight 377.08 g/mol. IUPAC: 3-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylpropanenitrile.
Chemical Property Profile of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 3.0706 indicates that Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- has 0 hydrogen bond donor(s) and 8 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 Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 110579-04-9.
What is the molecular formula of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C15H15N5O5S.
What is the molecular weight of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 377.08 g/mol.
Where can I buy Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-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 Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.