Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate (CAS 2004-31-1) is a chemical compound with molecular formula C25H30ClNO6 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate, 2-(3-(p-Chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline fumarate, Isoquinoline, 2-(3-(4-chlorophenyl)propyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (E)-2-butenedioate (1:1), 2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium; (E)-4-hydroxy-4-oxobut-2-enoate, Isoquinoline, 2-[3-(4-chlorophenyl)propyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (E)-2-butenedioate (1:1)
| Molecular Formula | C25H30ClNO6 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 1.8691 |
| Topological Polar Surface Area | 100.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.17618 |
| Heavy Atoms | 33 |
| Complexity | 957.6076 |
Chemical Identifiers
| CAS Number | 2004-31-1 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CC[NH+]1CCCC3=CC=C(C=C3)Cl)OC)OC.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate (CAS 2004-31-1), with molecular formula C25H30ClNO6 and molecular weight 475.18 g/mol. IUPAC: 2-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate
The XLogP value of 1.8691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate. The TPSA of 100.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate 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 Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate is 2004-31-1.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate is C25H30ClNO6.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate is 475.18 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.