RefChem:1088023
TL;DR: RefChem:1088023 (CAS 55854-53-0) is a chemical compound with molecular formula C34H36N4O8 and molecular weight 628.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone
Also Known As: Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, O-(4-((3,4-methylenedioxy)benzyl)-1-piperazinylcarbonylmethyl)oxime, KETONE, 6,7-DIMETHOXY-1-ISOQUINOLYL 3,4-DIMETHOXYPHENYL, O-(4-((3,4-METHYLENEDIO, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone, Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[[[[(6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)methylene]amino]oxy]acetyl]-, RefChem:1088023
| Molecular Formula | C34H36N4O8 |
|---|---|
| Molecular Weight | 628.25 g/mol |
| LogP | 4.1113 |
| Topological Polar Surface Area | 113.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 628.2533 |
| Heavy Atoms | 46 |
| Complexity | 1753.191 |
Chemical Identifiers
| CAS Number | 55854-53-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N/OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)/C5=NC=CC6=CC(=C(C=C65)OC)OC)OC |
Product Overview
RefChem:1088023 (CAS 55854-53-0), with molecular formula C34H36N4O8 and molecular weight 628.25 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone.
Chemical Property Profile of RefChem:1088023
Property Insights of RefChem:1088023
The XLogP value of 4.1113 indicates that RefChem:1088023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1088023. Following Lipinski's Rule of Five, RefChem:1088023 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1088023?
The CAS number of RefChem:1088023 is 55854-53-0.
What is the molecular formula of RefChem:1088023?
The molecular formula of RefChem:1088023 is C34H36N4O8.
What is the molecular weight of RefChem:1088023?
The molecular weight of RefChem:1088023 is 628.25 g/mol.
Where can I buy RefChem:1088023?
You can request a quote for RefChem:1088023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1088023?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1088023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.