Triagran Ultra
TL;DR: Triagran Ultra (CAS 99796-35-7) is a chemical compound with molecular formula C26H23Cl2I2N3O7S and molecular weight 844.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dichlorophenoxy)propanoic acid;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;4-hydroxy-3,5-diiodobenzonitrile
Also Known As: Triagran Ultra, Basagran Ultra, 2-(2,4-dichlorophenoxy)propanoic acid; 2,2-dioxo-3-propan-2-yl-1H-2, 2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodo-benzonitrile; 3-isopropyl-2,2-dioxo-1h-benzo[d][1,2,6]thiadiazin-4-one, Propanoic acid, 2-(2,4-dichlorophenoxy)-, mixt. with 4-hydroxy-3,5-diiodobenzonitrile and 3-(1-methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
| Molecular Formula | C26H23Cl2I2N3O7S |
|---|---|
| Molecular Weight | 844.87 g/mol |
| LogP | 6.52588 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 844.8723 |
| Heavy Atoms | 41 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 99796-35-7 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O.CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl.C1=C(C=C(C(=C1I)O)I)C#N |
| InChIKey | VNBSIFOIBHKSJU-UHFFFAOYSA-N |
Product Overview
Triagran Ultra (CAS 99796-35-7), with molecular formula C26H23Cl2I2N3O7S and molecular weight 844.87 g/mol. IUPAC: 2-(2,4-dichlorophenoxy)propanoic acid;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;4-hydroxy-3,5-diiodobenzonitrile.
Chemical Property Profile of Triagran Ultra
Property Insights of Triagran Ultra
The XLogP value of 6.52588 indicates that Triagran Ultra is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Triagran Ultra may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triagran Ultra has 3 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 Triagran Ultra?
The CAS number of Triagran Ultra is 99796-35-7.
What is the molecular formula of Triagran Ultra?
The molecular formula of Triagran Ultra is C26H23Cl2I2N3O7S.
What is the molecular weight of Triagran Ultra?
The molecular weight of Triagran Ultra is 844.87 g/mol.
Where can I buy Triagran Ultra?
You can request a quote for Triagran Ultra directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triagran Ultra?
Yes, KEHONG BIO provides custom synthesis services for Triagran Ultra and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.