2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole
TL;DR: 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole (CAS 330997-66-5) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole
Also Known As: ChemDiv1_009237, BAS 00327061, 2-benzimidazol-2-ylthio-1-nitro-4-piperidylbenzene, 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole, 2-(2-Nitro-5-piperidin-1-yl-phenylsulfanyl)-1H-benzoimidazole
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 4.6126 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 885.335 |
Chemical Identifiers
| CAS Number | 330997-66-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3 |
Product Overview
2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole (CAS 330997-66-5), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole
Property Insights of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole
The XLogP value of 4.6126 indicates that 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole has 1 hydrogen bond donor(s) and 5 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 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole?
The CAS number of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole is 330997-66-5.
What is the molecular formula of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole?
The molecular formula of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole is C18H18N4O2S.
What is the molecular weight of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole?
The molecular weight of 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole is 354.12 g/mol.
Where can I buy 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole?
You can request a quote for 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.