Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
TL;DR: Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- (CAS 4497-58-9) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-3,4-dihydro-1H-quinoline
Also Known As: 2,2,4-Trimethyl-1,2,3,4-tetrahydroquinoline, 1,2,3,4-Tetrahydro-2,2,4-trimethylquinoline, Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-, 2,2,4-trimethyl-3,4-dihydro-1H-quinoline, ZERO/003373
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 4497-58-9 |
|---|---|
| SMILES | CC1CC(NC2=CC=CC=C12)(C)C |
| InChIKey | KSNRDYQOHXQKAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- (CAS 4497-58-9), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 2,2,4-trimethyl-3,4-dihydro-1H-quinoline.
Chemical Property Profile of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
Property Insights of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
The XLogP value of 3.2 indicates that Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- has 1 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 Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-?
The CAS number of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- is 4497-58-9.
What is the molecular formula of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-?
The molecular formula of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- is C12H17N.
What is the molecular weight of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-?
The molecular weight of Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- is 175.14 g/mol.
Where can I buy Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-?
You can request a quote for Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.