Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
TL;DR: Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- (CAS 14174-17-5) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
Also Known As: BAS 01923096, (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(phenyl)methanone, Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-, 2-benzoyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-benzoylisoquinoline
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 14174-17-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3)OC |
| InChIKey | XNNRDJVSXKWPQK-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- (CAS 14174-17-5), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.
Chemical Property Profile of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
Property Insights of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-. With a topological polar surface area (TPSA) of 38.8 Ų, Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- has 0 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 Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-?
The CAS number of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- is 14174-17-5.
What is the molecular formula of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-?
The molecular formula of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- is C18H19NO3.
What is the molecular weight of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-?
The molecular weight of Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- is 297.14 g/mol.
Where can I buy Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-?
You can request a quote for Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-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 Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.