Benexate
TL;DR: Benexate (CAS 78718-52-2) is a chemical compound with molecular formula C23H27N3O4 and molecular weight 409.20016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate
Also Known As: Benexate, Benexato, Benexatum, Benexate [INN], Benexatum [Latin]
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H27N3O4 |
| Molecular Weight | 409.20016 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.20016 Da |
| Heavy Atoms | 30 |
| Complexity | 591.0 |
| SMILES | C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3 |
| InChIKey | IAXUQWSLRKIRFR-UHFFFAOYSA-N |
Product Description
Applications: Benexate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benexate (CAS 78718-52-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Benexate (CAS 78718-52-2) has the molecular formula C23H27N3O4 and a molecular weight of 409.2 g/mol. It is also known as Benexate and Benexato.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benexate
Property Insights of Benexate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benexate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benexate. Following Lipinski's Rule of Five, Benexate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benexate?
The CAS number of Benexate is 78718-52-2.
What is the molecular formula of Benexate?
The molecular formula of Benexate is C23H27N3O4.
What is the molecular weight of Benexate?
The molecular weight of Benexate is 409.20016 g/mol.
What are the applications of Benexate?
Benexate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benexate (CAS 78718-52-2) with custom synthesis available from...
Where can I buy Benexate?
You can request a quote for Benexate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benexate?
Yes, CoreyChem provides custom synthesis services for Benexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.