RefChem:258097
TL;DR: RefChem:258097 (CAS 112093-97-7) is a chemical compound with molecular formula C23H32N4S and molecular weight 396.23477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-(diethylamino)but-2-ynylsulfanyl]benzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine
Also Known As: 2-Butyn-1-amine, 4-((1-(4-(diethylamino)-2-butynyl)-1H-benzimidazol-2-yl)thio)-N,N-diethyl-, 4-((1-(4-(Diethylamino)-2-butynyl)-1H-benzimidazol-2-yl)thio)-N,N-diethyl-2-butyn-1-amine, 4-[2-[4-(diethylamino)but-2-ynylsulfanyl]benzimidazol-1-yl]-N,N-diethylbut-2-yn-1-amine, 4-({1-[4-(Diethylamino)but-2-yn-1-yl]-1H-1,3-benzimidazol-2-yl}sulfanyl)-N,N-diethylbut-2-yn-1-amine
Technical Specifications
| Molecular Formula | C23H32N4S |
| Molecular Weight | 396.23477 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.23477 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | CCN(CC)CC#CCN1C2=CC=CC=C2N=C1SCC#CCN(CC)CC |
| InChIKey | FWGMVLZPULCKIJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:258097
Property Insights of RefChem:258097
The XLogP value of 4.0 indicates that RefChem:258097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, RefChem:258097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:258097 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:258097?
The CAS number of RefChem:258097 is 112093-97-7.
What is the molecular formula of RefChem:258097?
The molecular formula of RefChem:258097 is C23H32N4S.
What is the molecular weight of RefChem:258097?
The molecular weight of RefChem:258097 is 396.23477 g/mol.
Where can I buy RefChem:258097?
You can request a quote for RefChem:258097 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:258097?
Yes, CoreyChem provides custom synthesis services for RefChem:258097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.