Trodax
TL;DR: Trodax (CAS 33555-66-7) is a chemical compound with molecular formula C15H22IN3O8 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Trodax
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol;4-hydroxy-3-iodo-5-nitrobenzonitrile
Also Known As: Trodax, nitroxinil eglumine, Dovenix, Nitroxynil egulime salt, NITROXYNIL EGLUMINE
| Molecular Formula | C15H22IN3O8 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | -1.19152 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.04517 |
| Heavy Atoms | 27 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 33555-66-7 |
|---|---|
| SMILES | CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N |
| InChIKey | NIVIZBHSVXAGNW-ANJNCBFHSA-N |
Product Overview
Trodax (CAS 33555-66-7), with molecular formula C15H22IN3O8 and molecular weight 499.05 g/mol. IUPAC: (2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol;4-hydroxy-3-iodo-5-nitrobenzonitrile.
Chemical Property Profile of Trodax
Property Insights of Trodax
The XLogP value of -1.19152 indicates that Trodax is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting Trodax may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trodax has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trodax?
The CAS number of Trodax is 33555-66-7.
What is the molecular formula of Trodax?
The molecular formula of Trodax is C15H22IN3O8.
What is the molecular weight of Trodax?
The molecular weight of Trodax is 499.05 g/mol.
Where can I buy Trodax?
You can request a quote for Trodax directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trodax?
Yes, KEHONG BIO provides custom synthesis services for Trodax and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.