3-Benzyl-6-isopropyl-2,5-piperazinedione
TL;DR: 3-Benzyl-6-isopropyl-2,5-piperazinedione (CAS 35590-86-4) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-propan-2-ylpiperazine-2,5-dione
Also Known As: Cyclo(Phe-Val), Antibacterial agent 134, cyclo(L-Phe-L-Val), 3-Benzyl-6-isopropyl-2,5-piperazinedione, 2,5-Piperazinedione, 3-benzyl-6-isopropyl-
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 35590-86-4 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 |
| InChIKey | OQQPOHUVAQPSHJ-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-isopropyl-2,5-piperazinedione (CAS 35590-86-4), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 3-benzyl-6-propan-2-ylpiperazine-2,5-dione.
Chemical Property Profile of 3-Benzyl-6-isopropyl-2,5-piperazinedione
Property Insights of 3-Benzyl-6-isopropyl-2,5-piperazinedione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-6-isopropyl-2,5-piperazinedione. With a topological polar surface area (TPSA) of 58.2 Ų, 3-Benzyl-6-isopropyl-2,5-piperazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6-isopropyl-2,5-piperazinedione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzyl-6-isopropyl-2,5-piperazinedione?
The CAS number of 3-Benzyl-6-isopropyl-2,5-piperazinedione is 35590-86-4.
What is the molecular formula of 3-Benzyl-6-isopropyl-2,5-piperazinedione?
The molecular formula of 3-Benzyl-6-isopropyl-2,5-piperazinedione is C14H18N2O2.
What is the molecular weight of 3-Benzyl-6-isopropyl-2,5-piperazinedione?
The molecular weight of 3-Benzyl-6-isopropyl-2,5-piperazinedione is 246.14 g/mol.
Where can I buy 3-Benzyl-6-isopropyl-2,5-piperazinedione?
You can request a quote for 3-Benzyl-6-isopropyl-2,5-piperazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-6-isopropyl-2,5-piperazinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-isopropyl-2,5-piperazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.