Dimethylamonium 2,3,5-triiodobenzoate
TL;DR: Dimethylamonium 2,3,5-triiodobenzoate (CAS 17601-49-9) is a chemical compound with molecular formula C9H10I3NO2 and molecular weight 544.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethylazanium;2,3,5-triiodobenzoate
Also Known As: TIBA dimethylamine salt, Caswell No. 890B, EPA Pesticide Chemical Code 009105, 2,3,5-Triiodobenzoic acid dimethylamine salt, Dimethylamonium 2,3,5-triiodobenzoate
| Molecular Formula | C9H10I3NO2 |
|---|---|
| Molecular Weight | 544.78 g/mol |
| LogP | 0.67 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 544.7846 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 17601-49-9 |
|---|---|
| SMILES | C[NH2+]C.C1=C(C=C(C(=C1C(=O)[O-])I)I)I |
| InChIKey | ZHPOHJJDIBVQHS-UHFFFAOYSA-N |
Product Overview
Dimethylamonium 2,3,5-triiodobenzoate (CAS 17601-49-9), with molecular formula C9H10I3NO2 and molecular weight 544.78 g/mol. IUPAC: dimethylazanium;2,3,5-triiodobenzoate.
Chemical Property Profile of Dimethylamonium 2,3,5-triiodobenzoate
Property Insights of Dimethylamonium 2,3,5-triiodobenzoate
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylamonium 2,3,5-triiodobenzoate. With a topological polar surface area (TPSA) of 56.7 Ų, Dimethylamonium 2,3,5-triiodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylamonium 2,3,5-triiodobenzoate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethylamonium 2,3,5-triiodobenzoate?
The CAS number of Dimethylamonium 2,3,5-triiodobenzoate is 17601-49-9.
What is the molecular formula of Dimethylamonium 2,3,5-triiodobenzoate?
The molecular formula of Dimethylamonium 2,3,5-triiodobenzoate is C9H10I3NO2.
What is the molecular weight of Dimethylamonium 2,3,5-triiodobenzoate?
The molecular weight of Dimethylamonium 2,3,5-triiodobenzoate is 544.78 g/mol.
Where can I buy Dimethylamonium 2,3,5-triiodobenzoate?
You can request a quote for Dimethylamonium 2,3,5-triiodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylamonium 2,3,5-triiodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethylamonium 2,3,5-triiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.