1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-
TL;DR: 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- (CAS 112094-05-0) is a chemical compound with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole
Also Known As: 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-, 1-(4-Piperidino-2-butynyl)-2-(4-piperidino-2-butynylthio)-5-nitro-1H-benzimidazole, 5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole, 5-Nitro-1-[4-(piperidin-1-yl)but-2-yn-1-yl]-2-{[4-(piperidin-1-yl)but-2-yn-1-yl]sulfanyl}-1H-1,3-benzimidazole, RefChem:237547
| Molecular Formula | C25H31N5O2S |
|---|---|
| Molecular Weight | 465.22 g/mol |
| LogP | 4.0152 |
| Topological Polar Surface Area | 67.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.21985 |
| Heavy Atoms | 33 |
| Complexity | 1079.1232 |
Chemical Identifiers
| CAS Number | 112094-05-0 |
|---|---|
| SMILES | C1CCN(CC1)CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCCCC4 |
Product Overview
1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- (CAS 112094-05-0), with molecular formula C25H31N5O2S and molecular weight 465.22 g/mol. IUPAC: 5-nitro-1-(4-piperidin-1-ylbut-2-ynyl)-2-(4-piperidin-1-ylbut-2-ynylsulfanyl)benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-
Property Insights of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-
The XLogP value of 4.0152 indicates that 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- 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 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-?
The CAS number of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- is 112094-05-0.
What is the molecular formula of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-?
The molecular formula of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- is C25H31N5O2S.
What is the molecular weight of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-?
The molecular weight of 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- is 465.22 g/mol.
Where can I buy 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-?
You can request a quote for 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.