加贝酯
TL;DR: 加贝酯 (CAS 39492-01-8) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
加贝酯
ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
Also Known As: gabexate, Gabexato, Gabexatum, Gabexate mesylate, Gabexate mesilate
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 39492-01-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N |
| InChIKey | YKGYIDJEEQRWQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
加贝酯 (CAS 39492-01-8), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate.
Chemical Property Profile of 加贝酯
Property Insights of 加贝酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 加贝酯. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 加贝酯. 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
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 321.17 g/mol.
Where can I buy Gabexate?
You can request a quote for Gabexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gabexate?
Yes, KEHONG BIO provides custom synthesis services for Gabexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.