Thenatol
TL;DR: Thenatol (CAS 66555-52-0) is a chemical compound with molecular formula C25H37ClN3O8PS2 and molecular weight 637.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzenesulfonate;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium;phosphoric acid;piperazine
Also Known As: Thenatol, 2-Thiophenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, salt with 4-chlorobenzenesulfonic acid (1:1), mixt. with piperazine phosphate (1:1), 4-chlorobenzenesulfonate;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium;phosphoric acid;piperazine, 4-chlorobenzenesulfonate; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium; phosphoric acid; piperazine, RefChem:189165
| Molecular Formula | C25H37ClN3O8PS2 |
|---|---|
| Molecular Weight | 637.14 g/mol |
| LogP | 2.8982 |
| Topological Polar Surface Area | 168.25 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 637.14484 |
| Heavy Atoms | 40 |
| Complexity | 1202.9452 |
Chemical Identifiers
| CAS Number | 66555-52-0 |
|---|---|
| SMILES | C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1CNCCN1.C1=CC(=CC=C1S(=O)(=O)[O-])Cl.OP(=O)(O)O |
Product Overview
Thenatol (CAS 66555-52-0), with molecular formula C25H37ClN3O8PS2 and molecular weight 637.14 g/mol. IUPAC: 4-chlorobenzenesulfonate;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium;phosphoric acid;piperazine.
Chemical Property Profile of Thenatol
Property Insights of Thenatol
The XLogP value of 2.8982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thenatol. The TPSA of 168.25 Ų indicates high polarity, suggesting Thenatol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thenatol has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thenatol?
The CAS number of Thenatol is 66555-52-0.
What is the molecular formula of Thenatol?
The molecular formula of Thenatol is C25H37ClN3O8PS2.
What is the molecular weight of Thenatol?
The molecular weight of Thenatol is 637.14 g/mol.
Where can I buy Thenatol?
You can request a quote for Thenatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thenatol?
Yes, KEHONG BIO provides custom synthesis services for Thenatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.