1-Phenyl-4-(phenylamino)-2,5-piperazinedione
TL;DR: 1-Phenyl-4-(phenylamino)-2,5-piperazinedione (CAS 70826-41-4) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-4-phenylpiperazine-2,5-dione
Also Known As: 1-Phenyl-4-(phenylamino)-2,5-piperazinedione, 1-anilino-4-phenylpiperazine-2,5-dione, 2,5-Piperazinedione, 1-phenyl-4-(phenylamino)-, 1-anilino-4-phenyl-piperazine-2,5-dione
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 70826-41-4 |
|---|---|
| SMILES | C1C(=O)N(CC(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3 |
| InChIKey | QPJPCISHHHCABA-UHFFFAOYSA-N |
Product Overview
1-Phenyl-4-(phenylamino)-2,5-piperazinedione (CAS 70826-41-4), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 1-anilino-4-phenylpiperazine-2,5-dione.
Chemical Property Profile of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione
Property Insights of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-4-(phenylamino)-2,5-piperazinedione. With a topological polar surface area (TPSA) of 52.7 Ų, 1-Phenyl-4-(phenylamino)-2,5-piperazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-4-(phenylamino)-2,5-piperazinedione has 1 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 1-Phenyl-4-(phenylamino)-2,5-piperazinedione?
The CAS number of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione is 70826-41-4.
What is the molecular formula of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione?
The molecular formula of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione is C16H15N3O2.
What is the molecular weight of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione?
The molecular weight of 1-Phenyl-4-(phenylamino)-2,5-piperazinedione is 281.12 g/mol.
Where can I buy 1-Phenyl-4-(phenylamino)-2,5-piperazinedione?
You can request a quote for 1-Phenyl-4-(phenylamino)-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 1-Phenyl-4-(phenylamino)-2,5-piperazinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-4-(phenylamino)-2,5-piperazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.