Berenil
TL;DR: Berenil (CAS 908-54-3) is a chemical compound with molecular formula C18H22N8O3 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
Also Known As: Diminazene aceturate, berenil, Azidin, Beronal, Ganasag
| Molecular Formula | C18H22N8O3 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 1.57 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1815 |
| Heavy Atoms | 29 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 908-54-3 |
|---|---|
| SMILES | CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N |
| InChIKey | XJLITJHUQRBWPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Berenil (CAS 908-54-3), with molecular formula C18H22N8O3 and molecular weight 398.18 g/mol. IUPAC: 2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide.
Chemical Property Profile of Berenil
Property Insights of Berenil
The XLogP value of 1.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Berenil. The TPSA of 203.0 Ų indicates high polarity, suggesting Berenil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Berenil has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Berenil?
The CAS number of Berenil is 908-54-3.
What is the molecular formula of Berenil?
The molecular formula of Berenil is C18H22N8O3.
What is the molecular weight of Berenil?
The molecular weight of Berenil is 398.18 g/mol.
Where can I buy Berenil?
You can request a quote for Berenil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berenil?
Yes, KEHONG BIO provides custom synthesis services for Berenil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.