RefChem:372726
TL;DR: RefChem:372726 (CAS 63978-62-1) is a chemical compound with molecular formula C45H68N4O12S5 and molecular weight 1016.34375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrakis(4-methylbenzenesulfonate);1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium
Also Known As: KST-1B7007, Piperazinium, 1,1,4-trimethyl-4-(((2-(1,4,4-trimethylpiperazinium-1-yl)ethyl)thio)methyl)-, salt with 4-methylbenzenesulfonic acid (1:4), 1,1,4-trimethyl-4-({[2-(1,4,4-trimethylpiperazinediium-1-yl)ethyl]sulfanyl}methyl)piperazinediium tetrakis(4-methylbenzenesulfonate), 1,1,4-Trimethyl-4-({[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl]sulfanyl}methyl)piperazine-1,4-diium tetrakis(4-methylbenzene-1-sulfonate), 4-methylbenzenesulfonate; 1,1,4-trimethyl-4-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethylsulfanylmethyl]piperazine-1,4-diium
Technical Specifications
| Molecular Formula | C45H68N4O12S5 |
| Molecular Weight | 1016.34375 g/mol |
| XLogP | 4.35 |
| Topological Polar Surface Area (TPSA) | 288.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 1016.34375 Da |
| Heavy Atoms | 66 |
| Complexity | 554.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CC[N+](CC1)(C)CCSC[N+]2(CC[N+](CC2)(C)C)C)C |
| InChIKey | YYGMDMFGGCXPCV-UHFFFAOYSA-J |
Chemical Property Profile of RefChem:372726
Property Insights of RefChem:372726
The XLogP value of 4.35 indicates that RefChem:372726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting RefChem:372726 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:372726 has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:372726?
The CAS number of RefChem:372726 is 63978-62-1.
What is the molecular formula of RefChem:372726?
The molecular formula of RefChem:372726 is C45H68N4O12S5.
What is the molecular weight of RefChem:372726?
The molecular weight of RefChem:372726 is 1016.34375 g/mol.
Where can I buy RefChem:372726?
You can request a quote for RefChem:372726 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:372726?
Yes, CoreyChem provides custom synthesis services for RefChem:372726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.