RefChem:1056442
TL;DR: RefChem:1056442 (CAS 109523-90-2) is a chemical compound with molecular formula C28H31ClN2O10 and molecular weight 590.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);[4-(2-chlorophenyl)phenyl]methyl 2-(4-methylpiperazin-1-yl)acetate
Also Known As: F 2876, 4-((4-Methyl-1-piperazinyl)acetoxymethyl)-2'-chlorobiphenyl dihydrogen maleate, 1-Piperazineacetic acid, 4-methyl-, (2'-chloro(1,1'-biphenyl)-4-yl)methyl ester, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid;[4-(2-chlorophenyl)phenyl]methyl 2-(4-methylpiperazin-1-yl)acetate, 4-((4-Methyl-1-piperazinyl)acetoxymethyl)-2/'-chlorobiphenyl dihydrogen maleate
| Molecular Formula | C28H31ClN2O10 |
|---|---|
| Molecular Weight | 590.17 g/mol |
| LogP | 2.7212 |
| Topological Polar Surface Area | 181.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.16675 |
| Heavy Atoms | 41 |
| Complexity | 1170.6887 |
Chemical Identifiers
| CAS Number | 109523-90-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056442 (CAS 109523-90-2), with molecular formula C28H31ClN2O10 and molecular weight 590.17 g/mol. IUPAC: bis((E)-but-2-enedioic acid);[4-(2-chlorophenyl)phenyl]methyl 2-(4-methylpiperazin-1-yl)acetate.
Chemical Property Profile of RefChem:1056442
Property Insights of RefChem:1056442
The XLogP value of 2.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056442. The TPSA of 181.98 Ų indicates high polarity, suggesting RefChem:1056442 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056442 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056442?
The CAS number of RefChem:1056442 is 109523-90-2.
What is the molecular formula of RefChem:1056442?
The molecular formula of RefChem:1056442 is C28H31ClN2O10.
What is the molecular weight of RefChem:1056442?
The molecular weight of RefChem:1056442 is 590.17 g/mol.
Where can I buy RefChem:1056442?
You can request a quote for RefChem:1056442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056442?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.