RefChem:1098918
TL;DR: RefChem:1098918 (CAS 52400-71-2) is a chemical compound with molecular formula C27H38N2O10 and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
Also Known As: Spiro(1,3-benzodioxole-2,1'-cyclohexane)-2-methylamine, N-(2-(diethylamino)ethyl)-, dimaleate, (Z)-but-2-enedioic acid; N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine, 1,2-Ethanediamine, N,N-diethyl-N'-(spiro[1,3-benzodioxole-2,1'-cyclohexan]-2'-ylmethyl)-, (Z)-2-butenedioate (1:2), RefChem:1098918
| Molecular Formula | C27H38N2O10 |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 2.6993 |
| Topological Polar Surface Area | 182.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 550.2526 |
| Heavy Atoms | 39 |
| Complexity | 913.0368 |
Chemical Identifiers
| CAS Number | 52400-71-2 |
|---|---|
| SMILES | CCN(CCNCC1C2(OC3=CC=CC=C3O2)CCCC1)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098918 (CAS 52400-71-2), with molecular formula C27H38N2O10 and molecular weight 550.25 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:1098918
Property Insights of RefChem:1098918
The XLogP value of 2.6993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098918. The TPSA of 182.93 Ų indicates high polarity, suggesting RefChem:1098918 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098918 has 5 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:1098918?
The CAS number of RefChem:1098918 is 52400-71-2.
What is the molecular formula of RefChem:1098918?
The molecular formula of RefChem:1098918 is C27H38N2O10.
What is the molecular weight of RefChem:1098918?
The molecular weight of RefChem:1098918 is 550.25 g/mol.
Where can I buy RefChem:1098918?
You can request a quote for RefChem:1098918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.