Penthienate
TL;DR: Penthienate (CAS 22064-27-3) is a chemical compound with molecular formula C18H30NO3S+ and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium
Also Known As: Penthienate, Penthienate ion, Penthienate cation, Monodral, Penthienate [BAN]
| Molecular Formula | C18H30NO3S+ |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 340.19464 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 22064-27-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O |
| InChIKey | NEMLPWNINZELKP-UHFFFAOYSA-N |
Product Overview
Penthienate (CAS 22064-27-3), with molecular formula C18H30NO3S+ and molecular weight 340.19 g/mol. IUPAC: 2-(2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetyl)oxyethyl-diethyl-methylazanium.
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
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 340.19 g/mol.
Where can I buy Penthienate?
You can request a quote for Penthienate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penthienate?
Yes, KEHONG BIO provides custom synthesis services for Penthienate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.