RefChem:1082587
TL;DR: RefChem:1082587 (CAS 78675-00-0) is a chemical compound with molecular formula C32H45N3O9 and molecular weight 615.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine;bis((E)-but-2-enedioic acid)
Also Known As: Cyclohexanone, 2-butylidene-, O-(3-(4-(phenylmethyl)-1-piperazinyl)propyl)oxime, (E)-2-butenedioate (1:2), 2-Butylidene-1-(3'-(4''-benzylpiperazinyl)propoxyimino)cyclohexane dihydrogen fumarate, RefChem:1082587
| Molecular Formula | C32H45N3O9 |
|---|---|
| Molecular Weight | 615.32 g/mol |
| LogP | 4.291 |
| Topological Polar Surface Area | 177.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 615.31555 |
| Heavy Atoms | 44 |
| Complexity | 1072.883 |
Chemical Identifiers
| CAS Number | 78675-00-0 |
|---|---|
| SMILES | CCC/C=C\1/C(=N/OCCCN2CCN(CC2)CC3=CC=CC=C3)/CCCC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1082587 (CAS 78675-00-0), with molecular formula C32H45N3O9 and molecular weight 615.32 g/mol. IUPAC: (E,2E)-N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1082587
Property Insights of RefChem:1082587
The XLogP value of 4.291 indicates that RefChem:1082587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.27 Ų indicates high polarity, suggesting RefChem:1082587 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082587 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:1082587?
The CAS number of RefChem:1082587 is 78675-00-0.
What is the molecular formula of RefChem:1082587?
The molecular formula of RefChem:1082587 is C32H45N3O9.
What is the molecular weight of RefChem:1082587?
The molecular weight of RefChem:1082587 is 615.32 g/mol.
Where can I buy RefChem:1082587?
You can request a quote for RefChem:1082587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.