2,4,4-Trimethyl-3,4-dihydroquinoline
TL;DR: 2,4,4-Trimethyl-3,4-dihydroquinoline (CAS 63177-93-5) 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.
2,4,4-trimethyl-3H-quinoline
Also Known As: 2,4,4-Trimethyl-3,4-dihydroquinoline, 2,4,4-trimethyl-3H-quinoline, Quinoline, 3,4-dihydro-2,4,4-trimethyl-, Quinoline,3,4-dihydro-2,4,4-trimethyl
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 63177-93-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(C1)(C)C |
| InChIKey | MJETWKCGZXNUCV-UHFFFAOYSA-N |
Product Overview
2,4,4-Trimethyl-3,4-dihydroquinoline (CAS 63177-93-5), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2,4,4-trimethyl-3H-quinoline.
Chemical Property Profile of 2,4,4-Trimethyl-3,4-dihydroquinoline
Property Insights of 2,4,4-Trimethyl-3,4-dihydroquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethyl-3,4-dihydroquinoline. With a topological polar surface area (TPSA) of 12.4 Ų, 2,4,4-Trimethyl-3,4-dihydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-3,4-dihydroquinoline 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 2,4,4-Trimethyl-3,4-dihydroquinoline?
The CAS number of 2,4,4-Trimethyl-3,4-dihydroquinoline is 63177-93-5.
What is the molecular formula of 2,4,4-Trimethyl-3,4-dihydroquinoline?
The molecular formula of 2,4,4-Trimethyl-3,4-dihydroquinoline is C12H15N.
What is the molecular weight of 2,4,4-Trimethyl-3,4-dihydroquinoline?
The molecular weight of 2,4,4-Trimethyl-3,4-dihydroquinoline is 173.12 g/mol.
Where can I buy 2,4,4-Trimethyl-3,4-dihydroquinoline?
You can request a quote for 2,4,4-Trimethyl-3,4-dihydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-3,4-dihydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-3,4-dihydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.