Iminoctadine Triacetate
TL;DR: Iminoctadine Triacetate (CAS 115044-19-4) is a chemical compound with molecular formula C24H53N7O6 and molecular weight 535.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine
Also Known As: Iminoctadine triacetate, Befran, Guazatin triacetate, Panoctine triacetate, Guanoctine triacetate
| Molecular Formula | C24H53N7O6 |
|---|---|
| Molecular Weight | 535.41 g/mol |
| LogP | 2.0767 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 535.40576 |
| Heavy Atoms | 37 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 115044-19-4 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.CC(=O)O.C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N |
| InChIKey | FKWDSATZSMJRLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iminoctadine Triacetate (CAS 115044-19-4), with molecular formula C24H53N7O6 and molecular weight 535.41 g/mol. IUPAC: acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine.
Chemical Property Profile of Iminoctadine Triacetate
Property Insights of Iminoctadine Triacetate
The XLogP value of 2.0767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iminoctadine Triacetate. The TPSA of 253.0 Ų indicates high polarity, suggesting Iminoctadine Triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iminoctadine Triacetate has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iminoctadine Triacetate?
The CAS number of Iminoctadine Triacetate is 115044-19-4.
What is the molecular formula of Iminoctadine Triacetate?
The molecular formula of Iminoctadine Triacetate is C24H53N7O6.
What is the molecular weight of Iminoctadine Triacetate?
The molecular weight of Iminoctadine Triacetate is 535.41 g/mol.
Where can I buy Iminoctadine Triacetate?
You can request a quote for Iminoctadine Triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iminoctadine Triacetate?
Yes, KEHONG BIO provides custom synthesis services for Iminoctadine Triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.