RefChem:1098954
TL;DR: RefChem:1098954 (CAS 40536-37-6) is a chemical compound with molecular formula C36H41N3O12 and molecular weight 707.27 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-morpholin-4-yl-2-[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)piperazin-1-yl]ethanone
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(4-(morpholinocarbonylmethyl)piperazinyl)methyl-, dimaleate, Morpholine, 4-[[4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]acetyl]-, (Z)-2-butenedioate (1:2), RefChem:1098954
| Molecular Formula | C36H41N3O12 |
|---|---|
| Molecular Weight | 707.27 g/mol |
| LogP | 1.6869 |
| Topological Polar Surface Area | 203.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 707.26904 |
| Heavy Atoms | 51 |
| Complexity | 1525.6685 |
Chemical Identifiers
| CAS Number | 40536-37-6 |
|---|---|
| SMILES | C1N(CCN(C1)CC(=O)N2CCOCC2)CC3OC4(OC3)C5=CC=CC=C5C=CC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098954 (CAS 40536-37-6), with molecular formula C36H41N3O12 and molecular weight 707.27 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-morpholin-4-yl-2-[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)piperazin-1-yl]ethanone.
Chemical Property Profile of RefChem:1098954
Property Insights of RefChem:1098954
The XLogP value of 1.6869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098954. The TPSA of 203.68 Ų indicates high polarity, suggesting RefChem:1098954 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098954 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1098954?
The CAS number of RefChem:1098954 is 40536-37-6.
What is the molecular formula of RefChem:1098954?
The molecular formula of RefChem:1098954 is C36H41N3O12.
What is the molecular weight of RefChem:1098954?
The molecular weight of RefChem:1098954 is 707.27 g/mol.
Where can I buy RefChem:1098954?
You can request a quote for RefChem:1098954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.