Pentoxyverine Hydrochloride
TL;DR: Pentoxyverine Hydrochloride (CAS 1045-21-2) is a chemical compound with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Also Known As: Pentoxyverine hydrochloride, Sedotussin (TN), Toclase (TN), PENTOXYVERINE HCL, CARBETAPENTANE HCL
| Molecular Formula | C20H32ClNO3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | 3.82 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 369.20706 |
| Heavy Atoms | 25 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 1045-21-2 |
|---|---|
| SMILES | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl |
| InChIKey | BNWCIGQOBYVGFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentoxyverine Hydrochloride (CAS 1045-21-2), with molecular formula C20H32ClNO3 and molecular weight 369.21 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of Pentoxyverine Hydrochloride
Property Insights of Pentoxyverine Hydrochloride
The XLogP value of 3.82 indicates that Pentoxyverine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Pentoxyverine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentoxyverine Hydrochloride 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 Pentoxyverine Hydrochloride?
The CAS number of Pentoxyverine Hydrochloride is 1045-21-2.
What is the molecular formula of Pentoxyverine Hydrochloride?
The molecular formula of Pentoxyverine Hydrochloride is C20H32ClNO3.
What is the molecular weight of Pentoxyverine Hydrochloride?
The molecular weight of Pentoxyverine Hydrochloride is 369.21 g/mol.
Where can I buy Pentoxyverine Hydrochloride?
You can request a quote for Pentoxyverine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentoxyverine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pentoxyverine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.