EINECS 261-950-1
TL;DR: EINECS 261-950-1 (CAS 59839-39-3) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Also Known As: 2-ACETYL-1,2,3,4-TETRAHYDRO-6-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]-7-METHOXYISOQUINOLINE, 1-(6-(2-Hydroxy-3-(isopropylamino)propoxy)-7-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 1-[6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, 2-Acetyl-1,2,3,4-tetrahydro-6-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-7-methoxyisoquinoline, 2-acetyl-1,2,3,4-tetrahydro-6-[2-hydroxy-3-[ amino]propoxy]-7-methoxyisoquinoline
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 59839-39-3 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C2CN(CCC2=C1)C(=O)C)OC)O |
| InChIKey | BMVPUDSSHJZURY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 261-950-1 (CAS 59839-39-3), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: 1-[6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
Chemical Property Profile of EINECS 261-950-1
Property Insights of EINECS 261-950-1
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 261-950-1. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-950-1. Following Lipinski's Rule of Five, EINECS 261-950-1 has 2 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 EINECS 261-950-1?
The CAS number of EINECS 261-950-1 is 59839-39-3.
What is the molecular formula of EINECS 261-950-1?
The molecular formula of EINECS 261-950-1 is C18H28N2O4.
What is the molecular weight of EINECS 261-950-1?
The molecular weight of EINECS 261-950-1 is 336.20 g/mol.
Where can I buy EINECS 261-950-1?
You can request a quote for EINECS 261-950-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-950-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-950-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.