1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone
TL;DR: 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone (CAS 289054-91-7) is a chemical compound with molecular formula C15H19NO and molecular weight 229.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-1-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)propan-2-one
Also Known As: 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone, AI-020/34045014, (1Z)-1-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)propan-2-one, 1-(2,3,3-trimethyl-2,3,4-trihydroisoquinolylidene)acetone
| Molecular Formula | C15H19NO |
|---|---|
| Molecular Weight | 229.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.14667 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 289054-91-7 |
|---|---|
| SMILES | CC(=O)/C=C\1/C2=CC=CC=C2CC(N1C)(C)C |
| InChIKey | RHBJTNWCTQYHEM-ZROIWOOFSA-N |
Product Overview
1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone (CAS 289054-91-7), with molecular formula C15H19NO and molecular weight 229.15 g/mol. IUPAC: (1Z)-1-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)propan-2-one.
Chemical Property Profile of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone
Property Insights of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone has 0 hydrogen bond donor(s) and 2 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-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone?
The CAS number of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone is 289054-91-7.
What is the molecular formula of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone?
The molecular formula of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone is C15H19NO.
What is the molecular weight of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone?
The molecular weight of 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone is 229.15 g/mol.
Where can I buy 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone?
You can request a quote for 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,3-trimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.