2,4,5-T tridecylamine salt
TL;DR: 2,4,5-T tridecylamine salt (CAS 53404-85-6) is a chemical compound with molecular formula C21H34Cl3NO3 and molecular weight 453.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5-trichlorophenoxy)acetate;tridecylazanium
Also Known As: 2,4,5-T tridecylamine salt, 2,4,5-t Tridecylammonium, 2,4,5-T, TRIDECANAMINE SALT, 2-(2,4,5-trichlorophenoxy)acetate; tridecylazanium, Tridecan-1-aminium (2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C21H34Cl3NO3 |
|---|---|
| Molecular Weight | 453.16 g/mol |
| LogP | 5.31 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 453.16043 |
| Heavy Atoms | 28 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 53404-85-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC[NH3+].C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-] |
| InChIKey | VQPUSCJJQMXTGM-UHFFFAOYSA-N |
Product Overview
2,4,5-T tridecylamine salt (CAS 53404-85-6), with molecular formula C21H34Cl3NO3 and molecular weight 453.16 g/mol. IUPAC: 2-(2,4,5-trichlorophenoxy)acetate;tridecylazanium.
Chemical Property Profile of 2,4,5-T tridecylamine salt
Property Insights of 2,4,5-T tridecylamine salt
The XLogP value of 5.31 indicates that 2,4,5-T tridecylamine salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-T tridecylamine salt. Following Lipinski's Rule of Five, 2,4,5-T tridecylamine salt has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-T tridecylamine salt?
The CAS number of 2,4,5-T tridecylamine salt is 53404-85-6.
What is the molecular formula of 2,4,5-T tridecylamine salt?
The molecular formula of 2,4,5-T tridecylamine salt is C21H34Cl3NO3.
What is the molecular weight of 2,4,5-T tridecylamine salt?
The molecular weight of 2,4,5-T tridecylamine salt is 453.16 g/mol.
Where can I buy 2,4,5-T tridecylamine salt?
You can request a quote for 2,4,5-T tridecylamine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-T tridecylamine salt?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-T tridecylamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.