2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-
TL;DR: 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- (CAS 112094-01-6) is a chemical compound with molecular formula C19H23N5O2S and molecular weight 385.15726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-(dimethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-dimethylbut-2-yn-1-amine
Also Known As: 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-, 4-({1-[4-(Dimethylamino)but-2-yn-1-yl]-5-nitro-1H-1,3-benzimidazol-2-yl}sulfanyl)-N,N-dimethylbut-2-yn-1-amine, 4-[1-(4-dimethylaminobut-2-ynyl)-5-nitro-benzoimidazol-2-yl]sulfanyl-N,N-dimethyl-but-2-yn-1-amine, 4-[2-[4-(dimethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-dimethylbut-2-yn-1-amine
Technical Specifications
| Molecular Formula | C19H23N5O2S |
| Molecular Weight | 385.15726 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.15726 Da |
| Heavy Atoms | 27 |
| Complexity | 636.0 |
| SMILES | CN(C)CC#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC#CCN(C)C |
| InChIKey | QYPYHJCVFOZBNB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-
Property Insights of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-. Following Lipinski's Rule of Five, 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- 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
What is the CAS number of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-?
The CAS number of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- is 112094-01-6.
What is the molecular formula of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-?
The molecular formula of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- is C19H23N5O2S.
What is the molecular weight of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-?
The molecular weight of 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- is 385.15726 g/mol.
Where can I buy 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-?
You can request a quote for 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 2-Butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.