4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
TL;DR: 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate (CAS 80348-58-9) is a chemical compound with molecular formula C10H8N4O7S and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-methyl-5-nitroimidazole-4-sulfonate
Also Known As: (4-nitrophenyl) 3-methyl-5-nitroimidazole-4-sulfonate, 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
| Molecular Formula | C10H8N4O7S |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.01138 |
| Heavy Atoms | 22 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 80348-58-9 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LMVSSAINZSFVBL-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate (CAS 80348-58-9), with molecular formula C10H8N4O7S and molecular weight 328.01 g/mol. IUPAC: (4-nitrophenyl) 3-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
Property Insights of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate. The TPSA of 161.0 Ų indicates high polarity, suggesting 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate 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 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate?
The CAS number of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate is 80348-58-9.
What is the molecular formula of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate?
The molecular formula of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate is C10H8N4O7S.
What is the molecular weight of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate?
The molecular weight of 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate is 328.01 g/mol.
Where can I buy 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate?
You can request a quote for 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 1-methyl-4-nitro-1H-imidazole-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.