Benexate
TL;DR: Benexate (CAS 78718-52-2) is a chemical compound with molecular formula C23H27N3O4 and molecular weight 409.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate
Also Known As: Benexate, Benexato, Benexatum, Benexate [INN], Benexatum [Latin]
| Molecular Formula | C23H27N3O4 |
|---|---|
| Molecular Weight | 409.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.20016 |
| Heavy Atoms | 30 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 78718-52-2 |
|---|---|
| SMILES | C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3 |
| InChIKey | IAXUQWSLRKIRFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benexate (CAS 78718-52-2), with molecular formula C23H27N3O4 and molecular weight 409.20 g/mol. IUPAC: benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate.
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
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 409.20 g/mol.
Where can I buy Benexate?
You can request a quote for Benexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benexate?
Yes, KEHONG BIO provides custom synthesis services for Benexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.