RefChem:1098944
TL;DR: RefChem:1098944 (CAS 40536-26-3) is a chemical compound with molecular formula C36H43N3O12 and molecular weight 709.28 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),3,5,7,11,13-hexaene]-4-ylmethyl)piperazin-1-yl]ethanone
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(morpholinocarbonylmethyl)piperazinyl)methyl-, dimaleate, Morpholine, 4-[[4-[(10,11-dihydrospiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-yl)methyl]-1-piperazinyl]acetyl]-, (Z)-2-butenedioate (1:2), RefChem:1098944
| Molecular Formula | C36H43N3O12 |
|---|---|
| Molecular Weight | 709.28 g/mol |
| LogP | 1.3017 |
| Topological Polar Surface Area | 203.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 709.28467 |
| Heavy Atoms | 51 |
| Complexity | 1481.6436 |
Chemical Identifiers
| CAS Number | 40536-26-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2C3(OC(CO3)CN4CCN(CC4)CC(=O)N5CCOCC5)C6=CC=CC=C6C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098944 (CAS 40536-26-3), with molecular formula C36H43N3O12 and molecular weight 709.28 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),3,5,7,11,13-hexaene]-4-ylmethyl)piperazin-1-yl]ethanone.
Chemical Property Profile of RefChem:1098944
Property Insights of RefChem:1098944
The XLogP value of 1.3017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098944. The TPSA of 203.68 Ų indicates high polarity, suggesting RefChem:1098944 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098944 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:1098944?
The CAS number of RefChem:1098944 is 40536-26-3.
What is the molecular formula of RefChem:1098944?
The molecular formula of RefChem:1098944 is C36H43N3O12.
What is the molecular weight of RefChem:1098944?
The molecular weight of RefChem:1098944 is 709.28 g/mol.
Where can I buy RefChem:1098944?
You can request a quote for RefChem:1098944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.