1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-
TL;DR: 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- (CAS 112094-04-9) is a chemical compound with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitrobenzimidazol-1-yl]but-2-ynyl]morpholine
Also Known As: 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-, 1-(4-Morpholino-2-butynyl)-2-(4-morpholino-2-butynylthio)-5-nitro-1H-benzimidazole, 1-[4-(Morpholin-4-yl)but-2-yn-1-yl]-2-{[4-(morpholin-4-yl)but-2-yn-1-yl]sulfanyl}-5-nitro-1H-1,3-benzimidazole, 4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitrobenzimidazol-1-yl]but-2-ynyl]morpholine, RefChem:237478
| Molecular Formula | C23H27N5O4S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 1.7078 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.17838 |
| Heavy Atoms | 33 |
| Complexity | 1085.1777 |
Chemical Identifiers
| CAS Number | 112094-04-9 |
|---|---|
| SMILES | C1COCCN1CC#CCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#CCN4CCOCC4 |
Product Overview
1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- (CAS 112094-04-9), with molecular formula C23H27N5O4S and molecular weight 469.18 g/mol. IUPAC: 4-[4-[2-(4-morpholin-4-ylbut-2-ynylsulfanyl)-5-nitrobenzimidazol-1-yl]but-2-ynyl]morpholine.
Chemical Property Profile of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-
Property Insights of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-
The XLogP value of 1.7078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- has 0 hydrogen bond donor(s) and 8 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, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-?
The CAS number of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- is 112094-04-9.
What is the molecular formula of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-?
The molecular formula of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- is C23H27N5O4S.
What is the molecular weight of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-?
The molecular weight of 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- is 469.18 g/mol.
Where can I buy 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-?
You can request a quote for 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 1-(4-(4-morpholinyl)-2-butynyl)-2-((4-(4-morpholinyl)-2-butynyl)thio)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.