氯化苯十二铵
TL;DR: 氯化苯十二铵 (CAS 139-07-1) is a chemical compound with molecular formula C21H38ClN and molecular weight 339.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化苯十二铵
benzyl-dodecyl-dimethylazanium chloride
Also Known As: Benzododecinium chloride, Cequartyl A, Catigene OM, ZEPHIROL, Rolcril
| Molecular Formula | C21H38ClN |
|---|---|
| Molecular Weight | 339.27 g/mol |
| LogP | 3.19 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 339.2693 |
| Heavy Atoms | 23 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 139-07-1 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | JBIROUFYLSSYDX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化苯十二铵 (CAS 139-07-1), with molecular formula C21H38ClN and molecular weight 339.27 g/mol. IUPAC: benzyl-dodecyl-dimethylazanium chloride.
Chemical Property Profile of 氯化苯十二铵
Property Insights of 氯化苯十二铵
The XLogP value of 3.19 indicates that 氯化苯十二铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 氯化苯十二铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化苯十二铵 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
Frequently Asked Questions
What is the CAS number of 氯化苯十二铵?
The CAS number of 氯化苯十二铵 is 139-07-1.
What is the molecular formula of 氯化苯十二铵?
The molecular formula of 氯化苯十二铵 is C21H38ClN.
What is the molecular weight of 氯化苯十二铵?
The molecular weight of 氯化苯十二铵 is 339.27 g/mol.
Where can I buy 氯化苯十二铵?
You can request a quote for 氯化苯十二铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化苯十二铵?
Yes, KEHONG BIO provides custom synthesis services for 氯化苯十二铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.