RefChem:1089951
TL;DR: RefChem:1089951 (CAS 60960-02-3) is a chemical compound with molecular formula C35H41N5O11 and molecular weight 707.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one
Also Known As: Morpholine, 4-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 3-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one, 3-[2-[[4-(2-MORPHOLIN-4-YL-2-OXO-ETHYL)PIPERAZIN-1-YL]METHYL]BENZOIMIDAZOL-1-YL]-1-PHENYL-PROPAN-1-ONE MALEATE, RefChem:1089951
| Molecular Formula | C35H41N5O11 |
|---|---|
| Molecular Weight | 707.28 g/mol |
| LogP | 1.7093 |
| Topological Polar Surface Area | 220.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 707.2803 |
| Heavy Atoms | 51 |
| Complexity | 1641.132 |
Chemical Identifiers
| CAS Number | 60960-02-3 |
|---|---|
| SMILES | C1N(CCN(C1)CC(=O)N2CCOCC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1089951 (CAS 60960-02-3), with molecular formula C35H41N5O11 and molecular weight 707.28 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one.
Chemical Property Profile of RefChem:1089951
Property Insights of RefChem:1089951
The XLogP value of 1.7093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1089951. The TPSA of 220.11 Ų indicates high polarity, suggesting RefChem:1089951 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1089951 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:1089951?
The CAS number of RefChem:1089951 is 60960-02-3.
What is the molecular formula of RefChem:1089951?
The molecular formula of RefChem:1089951 is C35H41N5O11.
What is the molecular weight of RefChem:1089951?
The molecular weight of RefChem:1089951 is 707.28 g/mol.
Where can I buy RefChem:1089951?
You can request a quote for RefChem:1089951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089951?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.