Piperazinedione
TL;DR: Piperazinedione (CAS 41109-80-2) is a chemical compound with molecular formula C14H24Cl4N4O2 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-3,6-bis[(2S,5R)-5-chloropiperidin-2-yl]piperazine-2,5-dione;dihydrochloride
Also Known As: Piperazinedione, Piperazinedione 593A, Compound 593A, Actinomycete fermentation product, 593-A
| Molecular Formula | C14H24Cl4N4O2 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.06238 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 41109-80-2 |
|---|---|
| SMILES | C1C[C@H](NC[C@@H]1Cl)[C@H]2C(=O)N[C@H](C(=O)N2)[C@@H]3CC[C@H](CN3)Cl.Cl.Cl |
| InChIKey | BTIDXNPBPKDZOX-NRKBBMOMSA-N |
Product Overview
Piperazinedione (CAS 41109-80-2), with molecular formula C14H24Cl4N4O2 and molecular weight 420.07 g/mol. IUPAC: (3S,6S)-3,6-bis[(2S,5R)-5-chloropiperidin-2-yl]piperazine-2,5-dione;dihydrochloride.
Chemical Property Profile of Piperazinedione
Property Insights of Piperazinedione
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinedione. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazinedione. Following Lipinski's Rule of Five, Piperazinedione has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperazinedione?
The CAS number of Piperazinedione is 41109-80-2.
What is the molecular formula of Piperazinedione?
The molecular formula of Piperazinedione is C14H24Cl4N4O2.
What is the molecular weight of Piperazinedione?
The molecular weight of Piperazinedione is 420.07 g/mol.
Where can I buy Piperazinedione?
You can request a quote for Piperazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinedione?
Yes, KEHONG BIO provides custom synthesis services for Piperazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.