1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate
TL;DR: 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate (CAS 163763-45-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-2,2,4-trimethylquinolin-6-yl) acetate
Also Known As: BAS 02799316, 1-acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate, AB00105569-01, (1-acetyl-2,2,4-trimethylquinolin-6-yl) acetate, Acetic acid 1-acetyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl ester
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 163763-45-9 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C)C(=O)C)(C)C |
| InChIKey | HKBZSKZLNRAUBY-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate (CAS 163763-45-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: (1-acetyl-2,2,4-trimethylquinolin-6-yl) acetate.
Chemical Property Profile of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate
Property Insights of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate. With a topological polar surface area (TPSA) of 46.6 Ų, 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate has 0 hydrogen bond donor(s) and 3 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 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate?
The CAS number of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate is 163763-45-9.
What is the molecular formula of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate?
The molecular formula of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate is C16H19NO3.
What is the molecular weight of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate?
The molecular weight of 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate is 273.14 g/mol.
Where can I buy 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate?
You can request a quote for 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.