Pentaerythritol tetrakis (cyanoacetate)
TL;DR: Pentaerythritol tetrakis (cyanoacetate) (CAS 178671-69-7) is a chemical compound with molecular formula C17H16N4O8 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-cyanoacetyl)oxy-2,2-bis[(2-cyanoacetyl)oxymethyl]propyl] 2-cyanoacetate
Also Known As: Pentaerythritol tetrakis (cyanoacetate), Pentaerythritol tetrakis(cyanoacetate), 2,2-Bis((2-cyanoacetoxy)methyl)propane-1,3-diyl bis(2-cyanoacetate), J2.421.899F, [3-(2-cyanoacetyl)oxy-2,2-bis[(2-cyanoacetyl)oxymethyl]propyl] 2-cyanoacetate
| Molecular Formula | C17H16N4O8 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | -0.19968 |
| Topological Polar Surface Area | 200.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 404.0968 |
| Heavy Atoms | 29 |
| Complexity | 647.70575 |
Chemical Identifiers
| CAS Number | 178671-69-7 |
|---|---|
| SMILES | C(C#N)C(=O)OCC(COC(=O)CC#N)(COC(=O)CC#N)COC(=O)CC#N |
Product Overview
Pentaerythritol tetrakis (cyanoacetate) (CAS 178671-69-7), with molecular formula C17H16N4O8 and molecular weight 404.10 g/mol. IUPAC: [3-(2-cyanoacetyl)oxy-2,2-bis[(2-cyanoacetyl)oxymethyl]propyl] 2-cyanoacetate.
Chemical Property Profile of Pentaerythritol tetrakis (cyanoacetate)
Property Insights of Pentaerythritol tetrakis (cyanoacetate)
The XLogP value of -0.19968 indicates that Pentaerythritol tetrakis (cyanoacetate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.36 Ų indicates high polarity, suggesting Pentaerythritol tetrakis (cyanoacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaerythritol tetrakis (cyanoacetate) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol tetrakis (cyanoacetate)?
The CAS number of Pentaerythritol tetrakis (cyanoacetate) is 178671-69-7.
What is the molecular formula of Pentaerythritol tetrakis (cyanoacetate)?
The molecular formula of Pentaerythritol tetrakis (cyanoacetate) is C17H16N4O8.
What is the molecular weight of Pentaerythritol tetrakis (cyanoacetate)?
The molecular weight of Pentaerythritol tetrakis (cyanoacetate) is 404.10 g/mol.
Where can I buy Pentaerythritol tetrakis (cyanoacetate)?
You can request a quote for Pentaerythritol tetrakis (cyanoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetrakis (cyanoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetrakis (cyanoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.