2,4,5-T N-oleyl-1,3-propylenediamine salt
TL;DR: 2,4,5-T N-oleyl-1,3-propylenediamine salt (CAS 53404-87-8) is a chemical compound with molecular formula C29H49Cl3N2O3 and molecular weight 578.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminopropyl-[(Z)-octadec-9-enyl]azanium;2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-t Oleylpropylenediammonium, 2,4,5-T N-oleyl-1,3-propylenediamine salt, 2,4,5,-T, N-OLEYL-1,3-PROPYLENE DIAMINE, Acetic acid, (2,4,5-trichlorophenoxy)-, compd. with (Z)-N-9-octadecenyl-1,3-propanediamine (1:1), 3-aminopropyl-[(Z)-octadec-9-enyl]azanium; 2-(2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C29H49Cl3N2O3 |
|---|---|
| Molecular Weight | 578.28 g/mol |
| LogP | 6.7116 |
| Topological Polar Surface Area | 91.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 578.2809 |
| Heavy Atoms | 37 |
| Complexity | 717.88245 |
Chemical Identifiers
| CAS Number | 53404-87-8 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC[NH2+]CCCN.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-] |
Product Overview
2,4,5-T N-oleyl-1,3-propylenediamine salt (CAS 53404-87-8), with molecular formula C29H49Cl3N2O3 and molecular weight 578.28 g/mol. IUPAC: 3-aminopropyl-[(Z)-octadec-9-enyl]azanium;2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2,4,5-T N-oleyl-1,3-propylenediamine salt
Property Insights of 2,4,5-T N-oleyl-1,3-propylenediamine salt
The XLogP value of 6.7116 indicates that 2,4,5-T N-oleyl-1,3-propylenediamine salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-T N-oleyl-1,3-propylenediamine salt. Following Lipinski's Rule of Five, 2,4,5-T N-oleyl-1,3-propylenediamine salt has 2 hydrogen bond donor(s) and 4 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 N-oleyl-1,3-propylenediamine salt?
The CAS number of 2,4,5-T N-oleyl-1,3-propylenediamine salt is 53404-87-8.
What is the molecular formula of 2,4,5-T N-oleyl-1,3-propylenediamine salt?
The molecular formula of 2,4,5-T N-oleyl-1,3-propylenediamine salt is C29H49Cl3N2O3.
What is the molecular weight of 2,4,5-T N-oleyl-1,3-propylenediamine salt?
The molecular weight of 2,4,5-T N-oleyl-1,3-propylenediamine salt is 578.28 g/mol.
Where can I buy 2,4,5-T N-oleyl-1,3-propylenediamine salt?
You can request a quote for 2,4,5-T N-oleyl-1,3-propylenediamine 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 N-oleyl-1,3-propylenediamine salt?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-T N-oleyl-1,3-propylenediamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.