Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate
TL;DR: Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate (CAS 85909-51-9) is a chemical compound with molecular formula C22H38N2S and molecular weight 362.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate
Also Known As: Benzyldodecyldimethylammonium thiocyanate, dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate, dimethyl-(1-phenyltridecan-2-yl)azanium thiocyanate
| Molecular Formula | C22H38N2S |
|---|---|
| Molecular Weight | 362.28 g/mol |
| LogP | 4.67748 |
| Topological Polar Surface Area | 28.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 362.27557 |
| Heavy Atoms | 25 |
| Complexity | 425.4034 |
Chemical Identifiers
| CAS Number | 85909-51-9 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.C(#N)[S-] |
Product Overview
Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate (CAS 85909-51-9), with molecular formula C22H38N2S and molecular weight 362.28 g/mol. IUPAC: dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate.
Chemical Property Profile of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate
Property Insights of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate
The XLogP value of 4.67748 indicates that Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.23 Ų, Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate has 1 hydrogen bond donor(s) and 2 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 Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate?
The CAS number of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate is 85909-51-9.
What is the molecular formula of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate?
The molecular formula of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate is C22H38N2S.
What is the molecular weight of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate?
The molecular weight of Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate is 362.28 g/mol.
Where can I buy Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate?
You can request a quote for Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.