RefChem:1087767
TL;DR: RefChem:1087767 (CAS 83658-65-5) is a chemical compound with molecular formula C29H32ClN3O8 and molecular weight 585.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);5-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
Also Known As: Isoquinoline, 3,4-dihydro-5-chloro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 5-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline, But-2-enedioic Acid; 5-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline, RefChem:1087767
| Molecular Formula | C29H32ClN3O8 |
|---|---|
| Molecular Weight | 585.19 g/mol |
| LogP | 2.7731 |
| Topological Polar Surface Area | 168.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 585.1878 |
| Heavy Atoms | 41 |
| Complexity | 1236.3948 |
Chemical Identifiers
| CAS Number | 83658-65-5 |
|---|---|
| SMILES | CN1CCN(CC1)CC2N=C(C3=C(C2)C(=CC=C3)Cl)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1087767 (CAS 83658-65-5), with molecular formula C29H32ClN3O8 and molecular weight 585.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);5-chloro-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline.
Chemical Property Profile of RefChem:1087767
Property Insights of RefChem:1087767
The XLogP value of 2.7731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087767. The TPSA of 168.04 Ų indicates high polarity, suggesting RefChem:1087767 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087767 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1087767?
The CAS number of RefChem:1087767 is 83658-65-5.
What is the molecular formula of RefChem:1087767?
The molecular formula of RefChem:1087767 is C29H32ClN3O8.
What is the molecular weight of RefChem:1087767?
The molecular weight of RefChem:1087767 is 585.19 g/mol.
Where can I buy RefChem:1087767?
You can request a quote for RefChem:1087767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087767?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.