2,4,5-T Isooctyl ester
TL;DR: 2,4,5-T Isooctyl ester (CAS 116436-47-6) is a chemical compound with molecular formula C16H21Cl3O3 and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-T isooctyl ester, AAnetos L, 2,4,5-T-isoctyl, aanetosl, ORGA-T
| Molecular Formula | C16H21Cl3O3 |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.05563 |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 116436-47-6 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | LRDPQMJVRJVAOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-T Isooctyl ester (CAS 116436-47-6), with molecular formula C16H21Cl3O3 and molecular weight 366.06 g/mol. IUPAC: 6-methylheptyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2,4,5-T Isooctyl ester
Property Insights of 2,4,5-T Isooctyl ester
The XLogP value of 6.8 indicates that 2,4,5-T Isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4,5-T Isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-T Isooctyl ester has 0 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 Isooctyl ester?
The CAS number of 2,4,5-T Isooctyl ester is 116436-47-6.
What is the molecular formula of 2,4,5-T Isooctyl ester?
The molecular formula of 2,4,5-T Isooctyl ester is C16H21Cl3O3.
What is the molecular weight of 2,4,5-T Isooctyl ester?
The molecular weight of 2,4,5-T Isooctyl ester is 366.06 g/mol.
Where can I buy 2,4,5-T Isooctyl ester?
You can request a quote for 2,4,5-T Isooctyl ester 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 Isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-T Isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.