RefChem:1075211
TL;DR: RefChem:1075211 (CAS 118989-83-6) is a chemical compound with molecular formula C28H32N4O12 and molecular weight 616.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
Also Known As: C20H24N4O4.2C4H4O4.1/2H2O, Acetamide, 2-(4-(2-hydroxyethyl)-1-piperazinyl)-N-(2-nitrophenyl)-N-phenyl-, (Z)-2-butenedioate, hydrate (2:4:1), C20-H24-N4-O4.2C4-H4-O4.1/2H2-O, (E)-but-2-enedioic acid; 2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide, But-2-enedioic Acid; 2-[3-(2-hydroxyethyl)-4-phenyl-piperazin-1-yl]-N-(2-nitrophenyl)acetamide
| Molecular Formula | C28H32N4O12 |
|---|---|
| Molecular Weight | 616.20 g/mol |
| LogP | 1.5301 |
| Topological Polar Surface Area | 248.15 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 616.20166 |
| Heavy Atoms | 44 |
| Complexity | 1281.148 |
Chemical Identifiers
| CAS Number | 118989-83-6 |
|---|---|
| SMILES | C1N(CC(N(C1)C2=CC=CC=C2)CCO)CC(=O)NC3=CC=CC=C3[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1075211 (CAS 118989-83-6), with molecular formula C28H32N4O12 and molecular weight 616.20 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of RefChem:1075211
Property Insights of RefChem:1075211
The XLogP value of 1.5301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075211. The TPSA of 248.15 Ų indicates high polarity, suggesting RefChem:1075211 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075211 has 6 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:1075211?
The CAS number of RefChem:1075211 is 118989-83-6.
What is the molecular formula of RefChem:1075211?
The molecular formula of RefChem:1075211 is C28H32N4O12.
What is the molecular weight of RefChem:1075211?
The molecular weight of RefChem:1075211 is 616.20 g/mol.
Where can I buy RefChem:1075211?
You can request a quote for RefChem:1075211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075211?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.