2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-
TL;DR: 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- (CAS 112094-02-7) is a chemical compound with molecular formula C23H31N5O2S and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine
Also Known As: 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-, 4-({1-[4-(Diethylamino)but-2-yn-1-yl]-5-nitro-1H-1,3-benzimidazol-2-yl}sulfanyl)-N,N-diethylbut-2-yn-1-amine, 4-[1-(4-diethylaminobut-2-ynyl)-5-nitro-benzoimidazol-2-yl]sulfanyl-N,N-diethyl-but-2-yn-1-amine, 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine, RefChem:258098
| Molecular Formula | C23H31N5O2S |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.727 |
| Topological Polar Surface Area | 67.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.21985 |
| Heavy Atoms | 31 |
| Complexity | 988.2763 |
Chemical Identifiers
| CAS Number | 112094-02-7 |
|---|---|
| SMILES | CCN(CC)CC#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCC#CCN(CC)CC |
Product Overview
2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- (CAS 112094-02-7), with molecular formula C23H31N5O2S and molecular weight 441.22 g/mol. IUPAC: 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine.
Chemical Property Profile of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-
Property Insights of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-
The XLogP value of 3.727 indicates that 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- 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 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-. Following Lipinski's Rule of Five, 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- 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 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-?
The CAS number of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- is 112094-02-7.
What is the molecular formula of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-?
The molecular formula of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- is C23H31N5O2S.
What is the molecular weight of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-?
The molecular weight of 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- is 441.22 g/mol.
Where can I buy 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-?
You can request a quote for 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-N,N-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.