RefChem:373458
TL;DR: RefChem:373458 (CAS 10584-83-5) is a chemical compound with molecular formula C44H68I4N2O4+2 and molecular weight 1196.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate;bis(piperidin-1-ium)
Also Known As: Piperidinium, 1-(7-hydroxyheptyl)-1-methyl-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1), bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate; piperidin-1-ium, Bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate; 3,4,5,6-tetrahydro-2H-pyridine, RefChem:373458
| Molecular Formula | C44H68I4N2O4+2 |
|---|---|
| Molecular Weight | 1196.14 g/mol |
| LogP | 10.4272 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 1196.1357 |
| Heavy Atoms | 54 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 10584-83-5 |
|---|---|
| SMILES | C1CC[NH2+]CC1.C1CC[NH2+]CC1.C1=CC=C(C=C1)C2C(C(C2C(=O)OCCCCCCCC(I)I)C3=CC=CC=C3)C(=O)OCCCCCCCC(I)I |
| InChIKey | BLFDANUHQRIHKX-UHFFFAOYSA-P |
Product Overview
RefChem:373458 (CAS 10584-83-5), with molecular formula C44H68I4N2O4+2 and molecular weight 1196.14 g/mol. IUPAC: bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate;bis(piperidin-1-ium).
Chemical Property Profile of RefChem:373458
Property Insights of RefChem:373458
The XLogP value of 10.4272 indicates that RefChem:373458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:373458. Following Lipinski's Rule of Five, RefChem:373458 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:373458?
The CAS number of RefChem:373458 is 10584-83-5.
What is the molecular formula of RefChem:373458?
The molecular formula of RefChem:373458 is C44H68I4N2O4+2.
What is the molecular weight of RefChem:373458?
The molecular weight of RefChem:373458 is 1196.14 g/mol.
Where can I buy RefChem:373458?
You can request a quote for RefChem:373458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.