1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
TL;DR: 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one (CAS 61999-52-8) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 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)-(3-hydroxy-4-methoxyphenyl)methanone
Also Known As: 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one, 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoq, 1-(3-Hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydroisoquinolin-6(2H)-one
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 61999-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)OC)O)O |
| InChIKey | NWSKIECEGPMDOZ-UHFFFAOYSA-N |
Product Overview
1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one (CAS 61999-52-8), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: (6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.
Chemical Property Profile of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
Property Insights of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one. Following Lipinski's Rule of Five, 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one has 2 hydrogen bond donor(s) and 6 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-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one?
The CAS number of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one is 61999-52-8.
What is the molecular formula of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one?
The molecular formula of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one is C18H17NO5.
What is the molecular weight of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one?
The molecular weight of 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one is 327.11 g/mol.
Where can I buy 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one?
You can request a quote for 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-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 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-hydroxy-4-methoxybenzoyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.