Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-
TL;DR: Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- (CAS 112094-03-8) is a chemical compound with molecular formula C23H31N5O6S and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[4-[bis(2-hydroxyethyl)amino]but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]but-2-ynyl-(2-hydroxyethyl)amino]ethanol
Also Known As: Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-, 2,2'-({4-[(1-{4-[Bis(2-hydroxyethyl)amino]but-2-yn-1-yl}-5-nitro-1H-1,3-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl}azanediyl)di(ethan-1-ol), 2-[4-[2-[4-[bis(2-hydroxyethyl)amino]but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]but-2-ynyl-(2-hydroxyethyl)amino]ethanol, RefChem:340674
| Molecular Formula | C23H31N5O6S |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | -0.3834 |
| Topological Polar Surface Area | 148.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 505.1995 |
| Heavy Atoms | 35 |
| Complexity | 1059.2521 |
Chemical Identifiers
| CAS Number | 112094-03-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])N=C(N2CC#CCN(CCO)CCO)SCC#CCN(CCO)CCO |
Product Overview
Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- (CAS 112094-03-8), with molecular formula C23H31N5O6S and molecular weight 505.20 g/mol. IUPAC: 2-[4-[2-[4-[bis(2-hydroxyethyl)amino]but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]but-2-ynyl-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-
Property Insights of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-
The XLogP value of -0.3834 indicates that Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.36 Ų indicates high polarity, suggesting Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-?
The CAS number of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- is 112094-03-8.
What is the molecular formula of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-?
The molecular formula of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- is C23H31N5O6S.
What is the molecular weight of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-?
The molecular weight of Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- is 505.20 g/mol.
Where can I buy Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-?
You can request a quote for Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.