Benzododecinium Chloride
TL;DR: Benzododecinium Chloride (CAS 139-07-1) is a chemical compound with molecular formula C21H38ClN and molecular weight 339.2693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-dodecyl-dimethylazanium chloride
Also Known As: Benzododecinium chloride, Cequartyl A, Catigene OM, ZEPHIROL, Rolcril
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H38ClN |
| Molecular Weight | 339.2693 g/mol |
| XLogP | 3.19 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 339.2693 Da |
| Heavy Atoms | 23 |
| Complexity | 240.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M |
Product Description
Applications: Benzododecinium Chloride 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).
A pharmaceutical intermediate supplied by CoreyChem, Benzododecinium Chloride (CAS 139-07-1) has the molecular formula C21H38ClN and a molecular weight of 339.27 g/mol. Synonyms include Benzododecinium chloride and Cequartyl A.
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 Benzododecinium Chloride
Property Insights of Benzododecinium Chloride
The XLogP value of 3.19 indicates that Benzododecinium Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzododecinium Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzododecinium Chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzododecinium Chloride?
The CAS number of Benzododecinium Chloride is 139-07-1.
What is the molecular formula of Benzododecinium Chloride?
The molecular formula of Benzododecinium Chloride is C21H38ClN.
What is the molecular weight of Benzododecinium Chloride?
The molecular weight of Benzododecinium Chloride is 339.2693 g/mol.
What are the applications of Benzododecinium Chloride?
Benzododecinium Chloride 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 Benzododecinium Chloride?
You can request a quote for Benzododecinium Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzododecinium Chloride?
Yes, CoreyChem provides custom synthesis services for Benzododecinium Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.