RefChem:1083021
TL;DR: RefChem:1083021 (CAS 84916-57-4) is a chemical compound with molecular formula C38H54N4O12 and molecular weight 758.37 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,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] decanoate
Also Known As: N-Phenethyl 2-bromobenzenesulphonamide, Decanoic acid, 1-((octahydro-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,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] decanoate, (E)-but-2-enedioic acid; [1-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] decanoate, RefChem:1083021
| Molecular Formula | C38H54N4O12 |
|---|---|
| Molecular Weight | 758.37 g/mol |
| LogP | 3.8549 |
| Topological Polar Surface Area | 232.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 758.37384 |
| Heavy Atoms | 54 |
| Complexity | 1352.6659 |
Chemical Identifiers
| CAS Number | 84916-57-4 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OC(CN1C(=O)C2C(C1=O)CCCC2)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:1083021 (CAS 84916-57-4), with molecular formula C38H54N4O12 and molecular weight 758.37 g/mol. IUPAC: bis((E)-but-2-enedioic acid);[1-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] decanoate.
Chemical Property Profile of RefChem:1083021
Property Insights of RefChem:1083021
The XLogP value of 3.8549 indicates that RefChem:1083021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.25 Ų indicates high polarity, suggesting RefChem:1083021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083021 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:1083021?
The CAS number of RefChem:1083021 is 84916-57-4.
What is the molecular formula of RefChem:1083021?
The molecular formula of RefChem:1083021 is C38H54N4O12.
What is the molecular weight of RefChem:1083021?
The molecular weight of RefChem:1083021 is 758.37 g/mol.
Where can I buy RefChem:1083021?
You can request a quote for RefChem:1083021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083021?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.