Carbetapentane
TL;DR: Carbetapentane (CAS 77-23-6) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
Also Known As: carbetapentane, Pentoxyverine, Pentoxiverin, Pentoxyverin, Atussil
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H31NO3 |
| Molecular Weight | 333.2304 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 333.2304 Da |
| Heavy Atoms | 24 |
| Complexity | 356.0 |
| Melting Point | 90-95 |
| Boiling Point | 165-170 °C @ 0.01 MM OF HG |
| Solubility | 1 |
| SMILES | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2 |
| InChIKey | CFJMRBQWBDQYMK-UHFFFAOYSA-N |
Product Description
Applications: Carbetapentane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Carbetapentane (CAS 77-23-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Carbetapentane (CAS 77-23-6) has the molecular formula C20H31NO3 and a molecular weight of 333.23 g/mol. Reported properties include a solubility: 1. It is also known as carbetapentane and Pentoxyverine.
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 Carbetapentane
Property Insights of Carbetapentane
The XLogP value of 3.8 indicates that Carbetapentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Carbetapentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbetapentane has 0 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 Carbetapentane?
The CAS number of Carbetapentane is 77-23-6.
What is the molecular formula of Carbetapentane?
The molecular formula of Carbetapentane is C20H31NO3.
What is the molecular weight of Carbetapentane?
The molecular weight of Carbetapentane is 333.2304 g/mol.
What are the applications of Carbetapentane?
Carbetapentane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Carbetapentane (CAS 77-23-6) with custom...
Where can I buy Carbetapentane?
You can request a quote for Carbetapentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbetapentane?
Yes, CoreyChem provides custom synthesis services for Carbetapentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.