1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-
TL;DR: 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- (CAS 959282-00-9) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-6,7-dimethoxy-1,3-dihydroisoquinolin-4-one
Also Known As: 2-benzoyl-6,7-dimethoxy-1,3-dihydroisoquinolin-4-one, 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-, 2-Benzoyl-6,7-dimethoxy-2,3-dihydro-4(1H)-isoquinolinone #, 4(1H)-Isoquinolinone, 2-benzoyl-2,3-dihydro-6,7-dimethoxy-
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 959282-00-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CN(CC2=O)C(=O)C3=CC=CC=C3)OC |
| InChIKey | ZOQFPAGIHKWVKA-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- (CAS 959282-00-9), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 2-benzoyl-6,7-dimethoxy-1,3-dihydroisoquinolin-4-one.
Chemical Property Profile of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-
Property Insights of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-. With a topological polar surface area (TPSA) of 55.8 Ų, 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- has 0 hydrogen bond donor(s) and 4 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 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-?
The CAS number of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- is 959282-00-9.
What is the molecular formula of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-?
The molecular formula of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- is C18H17NO4.
What is the molecular weight of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-?
The molecular weight of 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- is 311.12 g/mol.
Where can I buy 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-?
You can request a quote for 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydroisoquinolin-4-one, N-benzoyl-6,7-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.