Gabexate
TL;DR: Gabexate (CAS 39492-01-8) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
Also Known As: gabexate, Gabexato, Gabexatum, Gabexate mesylate, Gabexate mesilate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H23N3O4 |
| Molecular Weight | 321.16885 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 321.16885 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N |
| InChIKey | YKGYIDJEEQRWQH-UHFFFAOYSA-N |
Product Description
Applications: Gabexate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Gabexate is a pharmaceutical intermediate identified by CAS number 39492-01-8 and the molecular formula C16H23N3O4 and a molecular weight of 321.17 g/mol. Synonyms include gabexate and Gabexato.
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 Gabexate
Property Insights of Gabexate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gabexate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gabexate. Following Lipinski's Rule of Five, Gabexate 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 Gabexate?
The CAS number of Gabexate is 39492-01-8.
What is the molecular formula of Gabexate?
The molecular formula of Gabexate is C16H23N3O4.
What is the molecular weight of Gabexate?
The molecular weight of Gabexate is 321.16885 g/mol.
What are the applications of Gabexate?
Gabexate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Gabexate?
You can request a quote for Gabexate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gabexate?
Yes, CoreyChem provides custom synthesis services for Gabexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.