Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
TL;DR: Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate (CAS 6339-64-6) is a chemical compound with molecular formula C14H11N3O5S and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 3-methyl-5-nitroimidazole-4-sulfonate
Also Known As: naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate, naphthalen-1-yl 3-methyl-5-nitroimidazole-4-sulfonate, 1-methyl-5-naphthalen-1-yloxysulfonyl-4-nitro-imidazole, naphthalen-1-yl 3-methyl-5-nitro-imidazole-4-sulfonate, 3-methyl-5-nitro-4-imidazolesulfonic acid 1-naphthalenyl ester
| Molecular Formula | C14H11N3O5S |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04193 |
| Heavy Atoms | 23 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 6339-64-6 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)(=O)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | SFAMFMRSBAURBQ-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate (CAS 6339-64-6), with molecular formula C14H11N3O5S and molecular weight 333.04 g/mol. IUPAC: naphthalen-1-yl 3-methyl-5-nitroimidazole-4-sulfonate.
Chemical Property Profile of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
Property Insights of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate. Following Lipinski's Rule of Five, Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate 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 Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The CAS number of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is 6339-64-6.
What is the molecular formula of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The molecular formula of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is C14H11N3O5S.
What is the molecular weight of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
The molecular weight of Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate is 333.04 g/mol.
Where can I buy Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
You can request a quote for Naphthalen-1-yl 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 Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.