RefChem:1082514
TL;DR: RefChem:1082514 (CAS 84916-34-7) is a chemical compound with molecular formula C27H36N4O8 and molecular weight 544.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;[1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate
Also Known As: N-Phenethyl 2-bromobenzenesulphonamide, Cyclohexanecarboxylic acid, 1-((2,5-dioxo-1-pyrrolidinyl)methyl)-2-(4-(2-pyridinyl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:1), N-(2-Cyclohexylcabonyloxy-3-(4-(2-pyridyl)piperazin-1-yl)propyl)succinimide maleate, (E)-but-2-enedioic acid,[1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate, (E)-but-2-enedioic acid; [1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate
| Molecular Formula | C27H36N4O8 |
|---|---|
| Molecular Weight | 544.25 g/mol |
| LogP | 1.5565 |
| Topological Polar Surface Area | 157.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.2533 |
| Heavy Atoms | 39 |
| Complexity | 1001.4824 |
Chemical Identifiers
| CAS Number | 84916-34-7 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC(CN2CCN(CC2)C3=CC=CC=N3)CN4C(=O)CCC4=O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1082514 (CAS 84916-34-7), with molecular formula C27H36N4O8 and molecular weight 544.25 g/mol. IUPAC: (E)-but-2-enedioic acid;[1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate.
Chemical Property Profile of RefChem:1082514
Property Insights of RefChem:1082514
The XLogP value of 1.5565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1082514. The TPSA of 157.65 Ų indicates high polarity, suggesting RefChem:1082514 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082514 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1082514?
The CAS number of RefChem:1082514 is 84916-34-7.
What is the molecular formula of RefChem:1082514?
The molecular formula of RefChem:1082514 is C27H36N4O8.
What is the molecular weight of RefChem:1082514?
The molecular weight of RefChem:1082514 is 544.25 g/mol.
Where can I buy RefChem:1082514?
You can request a quote for RefChem:1082514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082514?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.