2,4,5-T丁氧乙酯
TL;DR: 2,4,5-T丁氧乙酯 (CAS 2545-59-7) is a chemical compound with molecular formula C14H17Cl3O4 and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-T丁氧乙酯
2-butoxyethyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: Trinoxol, 2,4,5-T-butotyl, 2,4,5-T butoxyethyl ester, Bladex H, Dinoxol
| Molecular Formula | C14H17Cl3O4 |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 354.01926 |
| Heavy Atoms | 21 |
| Complexity | 304.0 |
| Solubility | Insol in water, sol in oils |
| Flash Point | 265-251.1 °C (OPEN CUP) /2,4,5-T ESTERS/ |
| Vapor Pressure | 0.0000015 [mmHg] |
Chemical Identifiers
| CAS Number | 2545-59-7 |
|---|---|
| SMILES | CCCCOCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | GLDWASBMYWLQGG-UHFFFAOYSA-N |
Product Overview
2,4,5-T丁氧乙酯 (CAS 2545-59-7), with molecular formula C14H17Cl3O4 and molecular weight 354.02 g/mol. IUPAC: 2-butoxyethyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2,4,5-T丁氧乙酯
Property Insights of 2,4,5-T丁氧乙酯
The XLogP value of 4.7 indicates that 2,4,5-T丁氧乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2,4,5-T丁氧乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-T丁氧乙酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-T丁氧乙酯?
The CAS number of 2,4,5-T丁氧乙酯 is 2545-59-7.
What is the molecular formula of 2,4,5-T丁氧乙酯?
The molecular formula of 2,4,5-T丁氧乙酯 is C14H17Cl3O4.
What is the molecular weight of 2,4,5-T丁氧乙酯?
The molecular weight of 2,4,5-T丁氧乙酯 is 354.02 g/mol.
Where can I buy 2,4,5-T丁氧乙酯?
You can request a quote for 2,4,5-T丁氧乙酯 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丁氧乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-T丁氧乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.