Penthienate Bromide
TL;DR: Penthienate Bromide (CAS 60-44-6) is a chemical compound with molecular formula C18H30BrNO3S and molecular weight 419.11298 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 bromide
Also Known As: Monodral bromide, Penthienate, PENTHIENATE BROMIDE, Monodral, Penthienate bromide [NF]
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H30BrNO3S |
| Molecular Weight | 419.11298 g/mol |
| XLogP | 0.16 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.11298 Da |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O.[Br-] |
| InChIKey | VWGJUXTWIWCQGL-UHFFFAOYSA-M |
Product Description
Applications: Penthienate Bromide 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Penthienate Bromide (CAS 60-44-6) is a pharmaceutical intermediate with the molecular formula C18H30BrNO3S and a molecular weight of 419.11 g/mol. Synonyms include Monodral bromide and Penthienate.
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 Bromide
Property Insights of Penthienate Bromide
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penthienate Bromide. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Penthienate Bromide. Following Lipinski's Rule of Five, Penthienate Bromide has 1 hydrogen bond donor(s) and 5 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 Bromide?
The CAS number of Penthienate Bromide is 60-44-6.
What is the molecular formula of Penthienate Bromide?
The molecular formula of Penthienate Bromide is C18H30BrNO3S.
What is the molecular weight of Penthienate Bromide?
The molecular weight of Penthienate Bromide is 419.11298 g/mol.
What are the applications of Penthienate Bromide?
Penthienate Bromide 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. Available from CoreyChem as both catalog item and...
Where can I buy Penthienate Bromide?
You can request a quote for Penthienate Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Penthienate Bromide?
Yes, CoreyChem provides custom synthesis services for Penthienate Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.