RefChem:1098945
TL;DR: RefChem:1098945 (CAS 40536-23-0) is a chemical compound with molecular formula C31H36N2O10 and molecular weight 596.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-methyl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazine
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-methylpiperazinyl)methyl-, dimaleate, Piperazine, 1-[(10,11-dihydrospiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-yl)methyl]-4-methyl-, (Z)-2-butenedioate (1:2), RefChem:1098945
| Molecular Formula | C31H36N2O10 |
|---|---|
| Molecular Weight | 596.24 g/mol |
| LogP | 2.0727 |
| Topological Polar Surface Area | 174.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.237 |
| Heavy Atoms | 43 |
| Complexity | 1234.0836 |
Chemical Identifiers
| CAS Number | 40536-23-0 |
|---|---|
| SMILES | CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4CCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098945 (CAS 40536-23-0), with molecular formula C31H36N2O10 and molecular weight 596.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1098945
Property Insights of RefChem:1098945
The XLogP value of 2.0727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098945. The TPSA of 174.14 Ų indicates high polarity, suggesting RefChem:1098945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098945 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:1098945?
The CAS number of RefChem:1098945 is 40536-23-0.
What is the molecular formula of RefChem:1098945?
The molecular formula of RefChem:1098945 is C31H36N2O10.
What is the molecular weight of RefChem:1098945?
The molecular weight of RefChem:1098945 is 596.24 g/mol.
Where can I buy RefChem:1098945?
You can request a quote for RefChem:1098945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.