3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
TL;DR: 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione (CAS 6777-71-5) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
Also Known As: Cyclo(His-Phe), CYCLO(-HIS-PHE), cyclo[L-Phe-L-His], 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione, 3-Benzyl-6- -2,5-piperazinedione
| Molecular Formula | C15H16N4O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 0.1781 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12732 |
| Heavy Atoms | 21 |
| Complexity | 624.3879 |
Chemical Identifiers
| CAS Number | 6777-71-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CN=CN3 |
Product Overview
3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione (CAS 6777-71-5), with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol. IUPAC: 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione.
Chemical Property Profile of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
Property Insights of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
The XLogP value of 0.1781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione. Following Lipinski's Rule of Five, 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione has 3 hydrogen bond donor(s) and 3 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-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The CAS number of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione is 6777-71-5.
What is the molecular formula of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The molecular formula of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione is C15H16N4O2.
What is the molecular weight of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
The molecular weight of 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione is 284.13 g/mol.
Where can I buy 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
You can request a quote for 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione 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-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.