7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one
TL;DR: 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one (CAS 57256-38-9) 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.
(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone
Also Known As: 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one, 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-, 7-Methoxy-1-(4-methoxybenzoyl)-3,4-dihydroisoquinolin-6(2H)-one
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 57256-38-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)OC)O |
| InChIKey | YNRMVGRWZAUYJH-UHFFFAOYSA-N |
Product Overview
7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one (CAS 57256-38-9), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: (6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone.
Chemical Property Profile of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one
Property Insights of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one. Following Lipinski's Rule of Five, 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one has 1 hydrogen bond donor(s) and 5 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 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one?
The CAS number of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one is 57256-38-9.
What is the molecular formula of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one?
The molecular formula of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one is C18H17NO4.
What is the molecular weight of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one?
The molecular weight of 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one is 311.12 g/mol.
Where can I buy 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one?
You can request a quote for 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.