Penthienate
TL;DR: Penthienate (CAS 22064-27-3) is a chemical compound with molecular formula C18H30NO3S+ and molecular weight 340.19464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium
Also Known As: Penthienate, Penthienate ion, Penthienate cation, Monodral, Penthienate [BAN]
Technical Specifications
| Molecular Formula | C18H30NO3S+ |
| Molecular Weight | 340.19464 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 340.19464 Da |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O |
| InChIKey | NEMLPWNINZELKP-UHFFFAOYSA-N |
Product Description
Applications: Penthienate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Penthienate (CAS 22064-27-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Penthienate is a fine chemical identified by CAS number 22064-27-3 and the molecular formula C18H30NO3S+ and a molecular weight of 340.19 g/mol. It is also known as Penthienate and Penthienate ion.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Penthienate
Property Insights of Penthienate
The XLogP value of 3.3 indicates that Penthienate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Penthienate. Following Lipinski's Rule of Five, Penthienate has 1 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 Penthienate?
The CAS number of Penthienate is 22064-27-3.
What is the molecular formula of Penthienate?
The molecular formula of Penthienate is C18H30NO3S+.
What is the molecular weight of Penthienate?
The molecular weight of Penthienate is 340.19464 g/mol.
What are the applications of Penthienate?
Penthienate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Penthienate (CAS 22064-27-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy Penthienate?
You can request a quote for Penthienate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Penthienate?
Yes, CoreyChem provides custom synthesis services for Penthienate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.