3-Benzyl-6-methyl-2,5-piperazinedione
TL;DR: 3-Benzyl-6-methyl-2,5-piperazinedione (CAS 14474-78-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-methylpiperazine-2,5-dione
Also Known As: Cyclo(Ala-Phe), 3-Benzyl-6-methyl-2,5-piperazinedione, 3-benzyl-6-methylpiperazine-2,5-dione, cis-cyclo(L-Ala-L-Phe), 3-Benzyl-6-methyl-2,5-piperazinedione #
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 14474-78-3 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2 |
| InChIKey | CNXWPOWVDIUTPS-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-methyl-2,5-piperazinedione (CAS 14474-78-3), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-benzyl-6-methylpiperazine-2,5-dione.
Chemical Property Profile of 3-Benzyl-6-methyl-2,5-piperazinedione
Property Insights of 3-Benzyl-6-methyl-2,5-piperazinedione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-6-methyl-2,5-piperazinedione. With a topological polar surface area (TPSA) of 58.2 Ų, 3-Benzyl-6-methyl-2,5-piperazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-6-methyl-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-methyl-2,5-piperazinedione?
The CAS number of 3-Benzyl-6-methyl-2,5-piperazinedione is 14474-78-3.
What is the molecular formula of 3-Benzyl-6-methyl-2,5-piperazinedione?
The molecular formula of 3-Benzyl-6-methyl-2,5-piperazinedione is C12H14N2O2.
What is the molecular weight of 3-Benzyl-6-methyl-2,5-piperazinedione?
The molecular weight of 3-Benzyl-6-methyl-2,5-piperazinedione is 218.11 g/mol.
Where can I buy 3-Benzyl-6-methyl-2,5-piperazinedione?
You can request a quote for 3-Benzyl-6-methyl-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-methyl-2,5-piperazinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-methyl-2,5-piperazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.