1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt
TL;DR: 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt (CAS 115906-67-7) is a chemical compound with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazole-4-thiolate
Also Known As: 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt, 2-Methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-1H-imidazole-5-thiol ammonia salt, Ammonium 2-methyl-4-nitro-1-{[3-nitro-4-(pentyloxy)phenyl]methyl}-1H-imidazole-5-thiolate, azanium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazole-4-thiolate, RefChem:238282
| Molecular Formula | C16H23N5O5S |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 3.90722 |
| Topological Polar Surface Area | 149.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.142 |
| Heavy Atoms | 27 |
| Complexity | 823.7726 |
Chemical Identifiers
| CAS Number | 115906-67-7 |
|---|---|
| SMILES | CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2[S-])[N+](=O)[O-])C)[N+](=O)[O-].[NH4+] |
Product Overview
1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt (CAS 115906-67-7), with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol. IUPAC: azanium 2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazole-4-thiolate.
Chemical Property Profile of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt
Property Insights of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt
The XLogP value of 3.90722 indicates that 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.83 Ų indicates high polarity, suggesting 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt has 1 hydrogen bond donor(s) and 7 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 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt?
The CAS number of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt is 115906-67-7.
What is the molecular formula of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt?
The molecular formula of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt is C16H23N5O5S.
What is the molecular weight of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt?
The molecular weight of 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt is 397.14 g/mol.
Where can I buy 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt?
You can request a quote for 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-5-thiol, 2-methyl-4-nitro-1-((3-nitro-4-(pentyloxy)phenyl)methyl)-, ammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.