RefChem:1075216
TL;DR: RefChem:1075216 (CAS 118989-86-9) is a chemical compound with molecular formula C28H33N3O9 and molecular weight 555.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-benzylphenyl)-3-methylpiperazin-1-yl]acetamide;bis((E)-but-2-enedioic acid)
Also Known As: 1-Piperazineacetamide, 4-methyl-N-(2-(phenylmethyl)phenyl)-, (Z)-2-butenedioate (1:2), Acetamide, 2-(4-methyl-1-piperazinyl)-N-(2-(phenylmethyl)phenyl)-, (Z)-2-butenedioate (1:2), N-(2-Benzylphenyl)-2-(4-methyl-1-piperazinyl)acetamide bis(hydrogen maleate), 2-[4-(2-benzylphenyl)-3-methylpiperazin-1-yl]acetamide; (E)-but-2-enedioic acid, Acetamide,2-(4-methyl-(piperazin-1-yl))-N-(2-benzylphenyl)-,(Z)-2-butenedioate(1:2)
| Molecular Formula | C28H33N3O9 |
|---|---|
| Molecular Weight | 555.22 g/mol |
| LogP | 1.6968 |
| Topological Polar Surface Area | 198.77 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.2217 |
| Heavy Atoms | 40 |
| Complexity | 1146.5159 |
Chemical Identifiers
| CAS Number | 118989-86-9 |
|---|---|
| SMILES | CC1N(CCN(C1)CC(=O)N)C2=CC=CC=C2CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1075216 (CAS 118989-86-9), with molecular formula C28H33N3O9 and molecular weight 555.22 g/mol. IUPAC: 2-[4-(2-benzylphenyl)-3-methylpiperazin-1-yl]acetamide;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1075216
Property Insights of RefChem:1075216
The XLogP value of 1.6968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075216. The TPSA of 198.77 Ų indicates high polarity, suggesting RefChem:1075216 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075216 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1075216?
The CAS number of RefChem:1075216 is 118989-86-9.
What is the molecular formula of RefChem:1075216?
The molecular formula of RefChem:1075216 is C28H33N3O9.
What is the molecular weight of RefChem:1075216?
The molecular weight of RefChem:1075216 is 555.22 g/mol.
Where can I buy RefChem:1075216?
You can request a quote for RefChem:1075216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075216?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.