RefChem:1098956
TL;DR: RefChem:1098956 (CAS 40536-29-6) is a chemical compound with molecular formula C31H34N2O10 and molecular weight 594.22 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),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazine
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(4-methylpiperazinyl)methyl-, dimaleate, Piperazine, 1-methyl-4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:2), RefChem:1098956
| Molecular Formula | C31H34N2O10 |
|---|---|
| Molecular Weight | 594.22 g/mol |
| LogP | 2.4579 |
| Topological Polar Surface Area | 174.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.2214 |
| Heavy Atoms | 43 |
| Complexity | 1276.9421 |
Chemical Identifiers
| CAS Number | 40536-29-6 |
|---|---|
| SMILES | CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098956 (CAS 40536-29-6), with molecular formula C31H34N2O10 and molecular weight 594.22 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),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1098956
Property Insights of RefChem:1098956
The XLogP value of 2.4579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098956. The TPSA of 174.14 Ų indicates high polarity, suggesting RefChem:1098956 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098956 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:1098956?
The CAS number of RefChem:1098956 is 40536-29-6.
What is the molecular formula of RefChem:1098956?
The molecular formula of RefChem:1098956 is C31H34N2O10.
What is the molecular weight of RefChem:1098956?
The molecular weight of RefChem:1098956 is 594.22 g/mol.
Where can I buy RefChem:1098956?
You can request a quote for RefChem:1098956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098956?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.