RefChem:1087772
TL;DR: RefChem:1087772 (CAS 83658-75-7) is a chemical compound with molecular formula C30H35N3O9 and molecular weight 581.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
Also Known As: Isoquinoline, 3,4-dihydro-7-methoxy-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline, But-2-enedioic Acid; 7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline, RefChem:1087772
| Molecular Formula | C30H35N3O9 |
|---|---|
| Molecular Weight | 581.24 g/mol |
| LogP | 2.1283 |
| Topological Polar Surface Area | 177.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 581.2373 |
| Heavy Atoms | 42 |
| Complexity | 1248.5597 |
Chemical Identifiers
| CAS Number | 83658-75-7 |
|---|---|
| SMILES | CN1CCN(CC1)CC2N=C(C3=C(C2)C=CC(=C3)OC)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1087772 (CAS 83658-75-7), with molecular formula C30H35N3O9 and molecular weight 581.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);7-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline.
Chemical Property Profile of RefChem:1087772
Property Insights of RefChem:1087772
The XLogP value of 2.1283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087772. The TPSA of 177.27 Ų indicates high polarity, suggesting RefChem:1087772 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087772 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1087772?
The CAS number of RefChem:1087772 is 83658-75-7.
What is the molecular formula of RefChem:1087772?
The molecular formula of RefChem:1087772 is C30H35N3O9.
What is the molecular weight of RefChem:1087772?
The molecular weight of RefChem:1087772 is 581.24 g/mol.
Where can I buy RefChem:1087772?
You can request a quote for RefChem:1087772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087772?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.