1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
TL;DR: 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole (CAS 325813-16-9) is a chemical compound with molecular formula C14H17N3O5S and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
Also Known As: BAS 01126516, 1-(4-butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole, AB00106870-01, 1-[(4-butoxyphenyl)sulfonyl]-2-methyl-5-nitroimidazole, 1-((4-butoxyphenyl)sulfonyl)-2-methyl-5-nitro-1H-imidazole
| Molecular Formula | C14H17N3O5S |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 2.51562 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.0889 |
| Heavy Atoms | 23 |
| Complexity | 796.32025 |
Chemical Identifiers
| CAS Number | 325813-16-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C |
Product Overview
1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole (CAS 325813-16-9), with molecular formula C14H17N3O5S and molecular weight 339.09 g/mol. IUPAC: 1-(4-butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
Property Insights of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole
The XLogP value of 2.51562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole. Following Lipinski's Rule of Five, 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole 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 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole?
The CAS number of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole is 325813-16-9.
What is the molecular formula of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole?
The molecular formula of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole is C14H17N3O5S.
What is the molecular weight of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole?
The molecular weight of 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole is 339.09 g/mol.
Where can I buy 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole?
You can request a quote for 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butoxyphenyl)sulfonyl-2-methyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.