2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline
TL;DR: 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline (CAS 300689-80-9) is a chemical compound with molecular formula C19H20N2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-4-phenyl-1,3-dihydroquinolin-6-yl) thiocyanate
Also Known As: TimTec1_000129, BAS 00096124, BRD-A16016019-001-01-2, 2,2,4-trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline, (2,2,4-trimethyl-4-phenyl-1,3-dihydroquinolin-6-yl) thiocyanate
| Molecular Formula | C19H20N2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 5.15998 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1347 |
| Heavy Atoms | 22 |
| Complexity | 730.8456 |
Chemical Identifiers
| CAS Number | 300689-80-9 |
|---|---|
| SMILES | CC1(CC(C2=C(N1)C=CC(=C2)SC#N)(C)C3=CC=CC=C3)C |
Product Overview
2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline (CAS 300689-80-9), with molecular formula C19H20N2S and molecular weight 308.13 g/mol. IUPAC: (2,2,4-trimethyl-4-phenyl-1,3-dihydroquinolin-6-yl) thiocyanate.
Chemical Property Profile of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline
Property Insights of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline
The XLogP value of 5.15998 indicates that 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline?
The CAS number of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline is 300689-80-9.
What is the molecular formula of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline?
The molecular formula of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline is C19H20N2S.
What is the molecular weight of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline?
The molecular weight of 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline is 308.13 g/mol.
Where can I buy 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline?
You can request a quote for 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-4-phenyl-6-thiocyanato-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.