RefChem:1082588
TL;DR: RefChem:1082588 (CAS 78674-95-0) is a chemical compound with molecular formula C26H41N3O9 and molecular weight 539.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);(E,2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine
Also Known As: Cyclohexanone, 2-butylidene-, O-(3-(4-methyl-1-piperazinyl)propyl)oxime, (E)-2-butenedioate(1:2), 2-Butylidene-1-(3'-(4''-methylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate, RefChem:1082588
| Molecular Formula | C26H41N3O9 |
|---|---|
| Molecular Weight | 539.28 g/mol |
| LogP | 2.7206 |
| Topological Polar Surface Area | 177.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.2843 |
| Heavy Atoms | 38 |
| Complexity | 792.0252 |
Chemical Identifiers
| CAS Number | 78674-95-0 |
|---|---|
| SMILES | CCC/C=C\1/C(=N/OCCCN2CCN(CC2)C)/CCCC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1082588 (CAS 78674-95-0), with molecular formula C26H41N3O9 and molecular weight 539.28 g/mol. IUPAC: bis((E)-but-2-enedioic acid);(E,2E)-2-butylidene-N-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexan-1-imine.
Chemical Property Profile of RefChem:1082588
Property Insights of RefChem:1082588
The XLogP value of 2.7206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082588. The TPSA of 177.27 Ų indicates high polarity, suggesting RefChem:1082588 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082588 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:1082588?
The CAS number of RefChem:1082588 is 78674-95-0.
What is the molecular formula of RefChem:1082588?
The molecular formula of RefChem:1082588 is C26H41N3O9.
What is the molecular weight of RefChem:1082588?
The molecular weight of RefChem:1082588 is 539.28 g/mol.
Where can I buy RefChem:1082588?
You can request a quote for RefChem:1082588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.