RefChem:1063942
TL;DR: RefChem:1063942 (CAS 84916-40-5) is a chemical compound with molecular formula C37H48N4O12 and molecular weight 740.33 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-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] (E)-non-2-enoate
Also Known As: 2-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2) -, 2-Nonenoic acid, 1-((1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)-, (E)-but-2-enedioic acid; [1-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] (E)-non-2-enoate, RefChem:1063942
| Molecular Formula | C37H48N4O12 |
|---|---|
| Molecular Weight | 740.33 g/mol |
| LogP | 3.0168 |
| Topological Polar Surface Area | 232.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 740.32684 |
| Heavy Atoms | 53 |
| Complexity | 1424.4252 |
Chemical Identifiers
| CAS Number | 84916-40-5 |
|---|---|
| SMILES | CCCCCC/C=C/C(=O)OC(CN1C(=O)C2C(C1=O)CC=CC2)CN3CCN(CC3)C4=CC=CC=N4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1063942 (CAS 84916-40-5), with molecular formula C37H48N4O12 and molecular weight 740.33 g/mol. IUPAC: bis((E)-but-2-enedioic acid);[1-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] (E)-non-2-enoate.
Chemical Property Profile of RefChem:1063942
Property Insights of RefChem:1063942
The XLogP value of 3.0168 indicates that RefChem:1063942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.25 Ų indicates high polarity, suggesting RefChem:1063942 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063942 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063942?
The CAS number of RefChem:1063942 is 84916-40-5.
What is the molecular formula of RefChem:1063942?
The molecular formula of RefChem:1063942 is C37H48N4O12.
What is the molecular weight of RefChem:1063942?
The molecular weight of RefChem:1063942 is 740.33 g/mol.
Where can I buy RefChem:1063942?
You can request a quote for RefChem:1063942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.