2,2,4-三甲基-1,2-二氢喹啉
TL;DR: 2,2,4-三甲基-1,2-二氢喹啉 (CAS 147-47-7) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-三甲基-1,2-二氢喹啉
2,2,4-trimethyl-1H-quinoline
Also Known As: 2,2,4-Trimethyl-1,2-dihydroquinoline, Acetone anil, Flectol H, Acetonanil, Flectol pastilles
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| Melting Point | 79 to 27.2 °C |
| Boiling Point | 491 to 260.0 °C at 743 mmHg |
| Density | 1.03 at 25.0 °C |
| Solubility | less than 0.1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 101.1 °C |
Chemical Identifiers
| CAS Number | 147-47-7 |
|---|---|
| SMILES | CC1=CC(NC2=CC=CC=C12)(C)C |
| InChIKey | ZNRLMGFXSPUZNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-三甲基-1,2-二氢喹啉 (CAS 147-47-7), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2,2,4-trimethyl-1H-quinoline.
Chemical Property Profile of 2,2,4-三甲基-1,2-二氢喹啉
Property Insights of 2,2,4-三甲基-1,2-二氢喹啉
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-三甲基-1,2-二氢喹啉. With a topological polar surface area (TPSA) of 12.0 Ų, 2,2,4-三甲基-1,2-二氢喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-三甲基-1,2-二氢喹啉 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 2,2,4-三甲基-1,2-二氢喹啉?
The CAS number of 2,2,4-三甲基-1,2-二氢喹啉 is 147-47-7.
What is the molecular formula of 2,2,4-三甲基-1,2-二氢喹啉?
The molecular formula of 2,2,4-三甲基-1,2-二氢喹啉 is C12H15N.
What is the molecular weight of 2,2,4-三甲基-1,2-二氢喹啉?
The molecular weight of 2,2,4-三甲基-1,2-二氢喹啉 is 173.12 g/mol.
Where can I buy 2,2,4-三甲基-1,2-二氢喹啉?
You can request a quote for 2,2,4-三甲基-1,2-二氢喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-三甲基-1,2-二氢喹啉?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-三甲基-1,2-二氢喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.