![1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- structure](/static/products/6904/69046-62-4.webp)
1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-
TL;DR: 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- (CAS 69046-62-4) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-2,7,8,9-tetrahydrobenzo[de]isoquinolin-1-yl) acetate
Also Known As: 1H-Benz[de]isoquinolin-1-one,4,5,6-tetrahydro-, 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-, (3-oxo-2,7,8,9-tetrahydrobenzo[de]isoquinolin-1-yl) acetate, 1-Oxo-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-3-yl acetate, 1H-Benz[de]isoquinolin-1-one,3-(acetyloxy)-2,4,5,6-tetrahydro-
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 69046-62-4 |
|---|---|
| SMILES | CC(=O)OC1=C2CCCC3=C2C(=CC=C3)C(=O)N1 |
| InChIKey | PUVFYXCMHFDBMW-UHFFFAOYSA-N |
Product Overview
1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- (CAS 69046-62-4), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: (3-oxo-2,7,8,9-tetrahydrobenzo[de]isoquinolin-1-yl) acetate.
Chemical Property Profile of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-
Property Insights of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-. With a topological polar surface area (TPSA) of 55.4 Ų, 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- has 1 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 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-?
The CAS number of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- is 69046-62-4.
What is the molecular formula of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-?
The molecular formula of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- is C14H13NO3.
What is the molecular weight of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-?
The molecular weight of 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- is 243.09 g/mol.
Where can I buy 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-?
You can request a quote for 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz[de]isoquinolin-1-one, 3-(acetyloxy)-2,4,5,6-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.