Batel
TL;DR: Batel (CAS 114-85-2) is a chemical compound with molecular formula C20H32N6O4S and molecular weight 452.22058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
苄脒
bis((N-benzyl-N'-methylcarbamimidoyl)-methylazanium);sulfate
Also Known As: Benzanidine, Bentanidol, Benzaidin, Benzanidin, Benzoxine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H32N6O4S |
| Molecular Weight | 452.22058 g/mol |
| XLogP | -1.43 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.22058 Da |
| Heavy Atoms | 31 |
| Complexity | 222.0 |
| SMILES | C[NH2+]C(=NC)NCC1=CC=CC=C1.C[NH2+]C(=NC)NCC1=CC=CC=C1.[O-]S(=O)(=O)[O-] |
| InChIKey | YTIJUXVIZLYQTB-UHFFFAOYSA-N |
Chemical Property Profile of Batel
Property Insights of Batel
The XLogP value of -1.43 indicates that Batel is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting Batel may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Batel has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Batel?
The CAS number of Batel is 114-85-2.
What is the molecular formula of Batel?
The molecular formula of Batel is C20H32N6O4S.
What is the molecular weight of Batel?
The molecular weight of Batel is 452.22058 g/mol.
Where can I buy Batel?
You can request a quote for Batel directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Batel?
Yes, CoreyChem provides custom synthesis services for Batel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.