氨氯吡啶酸2-乙基己酯
TL;DR: 氨氯吡啶酸2-乙基己酯 (CAS 41108-58-1) is a chemical compound with molecular formula C14H19Cl3N2O2 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨氯吡啶酸2-乙基己酯
2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Also Known As: Picloram-2-ethylhexyl, Picloram 2-ethylhexyl ester, Picloram-2-ethylhexyl [ISO], Picloram-2-ethylhexyl ester, 2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
| Molecular Formula | C14H19Cl3N2O2 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.0512 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 41108-58-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl |
| InChIKey | RPDJBUSVCYFTRU-UHFFFAOYSA-N |
Product Overview
氨氯吡啶酸2-乙基己酯 (CAS 41108-58-1), with molecular formula C14H19Cl3N2O2 and molecular weight 352.05 g/mol. IUPAC: 2-ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate.
Chemical Property Profile of 氨氯吡啶酸2-乙基己酯
Property Insights of 氨氯吡啶酸2-乙基己酯
The XLogP value of 5.7 indicates that 氨氯吡啶酸2-乙基己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨氯吡啶酸2-乙基己酯. Following Lipinski's Rule of Five, 氨氯吡啶酸2-乙基己酯 has 1 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 氨氯吡啶酸2-乙基己酯?
The CAS number of 氨氯吡啶酸2-乙基己酯 is 41108-58-1.
What is the molecular formula of 氨氯吡啶酸2-乙基己酯?
The molecular formula of 氨氯吡啶酸2-乙基己酯 is C14H19Cl3N2O2.
What is the molecular weight of 氨氯吡啶酸2-乙基己酯?
The molecular weight of 氨氯吡啶酸2-乙基己酯 is 352.05 g/mol.
Where can I buy 氨氯吡啶酸2-乙基己酯?
You can request a quote for 氨氯吡啶酸2-乙基己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨氯吡啶酸2-乙基己酯?
Yes, KEHONG BIO provides custom synthesis services for 氨氯吡啶酸2-乙基己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.