RefChem:1087714
TL;DR: RefChem:1087714 (CAS 15641-54-0) 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)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)butyl)-6,7-dimethoxy-, maleate, 1,2,3,4-Tetrahydro-2-(3-(p-chlorophenyl)butyl)-6,7-dimethoxyisoquinoline maleate, 2-(3-(p-Chlorophenyl)butyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline maleate, 2-(3-(p-Chlorophenyl)butyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline maleate, 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium; (Z)-4-hydroxy-4-oxobut-2-enoate
| 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 | 15641-54-0 |
|---|---|
| SMILES | CC(CC[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1087714 (CAS 15641-54-0), with molecular formula C25H30ClNO6 and molecular weight 475.18 g/mol. IUPAC: 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1087714
Property Insights of RefChem:1087714
The XLogP value of 1.8691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087714. The TPSA of 100.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1087714. Following Lipinski's Rule of Five, RefChem:1087714 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 RefChem:1087714?
The CAS number of RefChem:1087714 is 15641-54-0.
What is the molecular formula of RefChem:1087714?
The molecular formula of RefChem:1087714 is C25H30ClNO6.
What is the molecular weight of RefChem:1087714?
The molecular weight of RefChem:1087714 is 475.18 g/mol.
Where can I buy RefChem:1087714?
You can request a quote for RefChem:1087714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087714?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.