Fumaryldiketopiperazine
TL;DR: Fumaryldiketopiperazine (CAS 176738-91-3) is a chemical compound with molecular formula C20H28N4O8 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[5-[4-[[(E)-3-carboxyprop-2-enoyl]amino]butyl]-3,6-dioxopiperazin-2-yl]butylamino]-4-oxobut-2-enoic acid
Also Known As: Fumaryldiketopiperazine, Fumaryl diketopiperazine, Technosphere component fdkp, 3,6-Bis(N-fumaryl-N-(butyl)amino)-2,5-diketopiperazine, (2E,2'E)-4,4'-((3,6-Dioxo-2,5-piperazinediyl)bis(4,1-butanediylimino))bis(4-oxo-2-butenoic acid)
| Molecular Formula | C20H28N4O8 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | -1.1758 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 452.1907 |
| Heavy Atoms | 32 |
| Complexity | 713.56146 |
Chemical Identifiers
| CAS Number | 176738-91-3 |
|---|---|
| SMILES | C(CC1NC(=O)C(NC1=O)CCCCNC(=O)/C=C/C(=O)O)CCNC(=O)/C=C/C(=O)O |
Product Overview
Fumaryldiketopiperazine (CAS 176738-91-3), with molecular formula C20H28N4O8 and molecular weight 452.19 g/mol. IUPAC: (E)-4-[4-[5-[4-[[(E)-3-carboxyprop-2-enoyl]amino]butyl]-3,6-dioxopiperazin-2-yl]butylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of Fumaryldiketopiperazine
Property Insights of Fumaryldiketopiperazine
The XLogP value of -1.1758 indicates that Fumaryldiketopiperazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Fumaryldiketopiperazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fumaryldiketopiperazine has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fumaryldiketopiperazine?
The CAS number of Fumaryldiketopiperazine is 176738-91-3.
What is the molecular formula of Fumaryldiketopiperazine?
The molecular formula of Fumaryldiketopiperazine is C20H28N4O8.
What is the molecular weight of Fumaryldiketopiperazine?
The molecular weight of Fumaryldiketopiperazine is 452.19 g/mol.
Where can I buy Fumaryldiketopiperazine?
You can request a quote for Fumaryldiketopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaryldiketopiperazine?
Yes, KEHONG BIO provides custom synthesis services for Fumaryldiketopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.