Lauryl Isoquinolinium Bromide
TL;DR: Lauryl Isoquinolinium Bromide (CAS 93-23-2) is a chemical compound with molecular formula C21H32BrN and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylisoquinolin-2-ium bromide
Also Known As: Lauryl isoquinolinium bromide, Isothan, 2-Dodecylisoquinolinium bromide, Decelerine, Intexsan LQ75
| Molecular Formula | C21H32BrN |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.1718 |
| Heavy Atoms | 23 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 93-23-2 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-] |
| InChIKey | MSJLMQTXVKCUCD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lauryl Isoquinolinium Bromide (CAS 93-23-2), with molecular formula C21H32BrN and molecular weight 377.17 g/mol. IUPAC: 2-dodecylisoquinolin-2-ium bromide.
Chemical Property Profile of Lauryl Isoquinolinium Bromide
Property Insights of Lauryl Isoquinolinium Bromide
The XLogP value of 3.05 indicates that Lauryl Isoquinolinium Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, Lauryl Isoquinolinium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lauryl Isoquinolinium Bromide 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 Lauryl Isoquinolinium Bromide?
The CAS number of Lauryl Isoquinolinium Bromide is 93-23-2.
What is the molecular formula of Lauryl Isoquinolinium Bromide?
The molecular formula of Lauryl Isoquinolinium Bromide is C21H32BrN.
What is the molecular weight of Lauryl Isoquinolinium Bromide?
The molecular weight of Lauryl Isoquinolinium Bromide is 377.17 g/mol.
Where can I buy Lauryl Isoquinolinium Bromide?
You can request a quote for Lauryl Isoquinolinium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lauryl Isoquinolinium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Lauryl Isoquinolinium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.