4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
TL;DR: 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester (CAS 19677-58-8) is a chemical compound with molecular formula C10H11Cl3N2O2 and molecular weight 295.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Also Known As: Picloram, butyl ester, butyl 4-amino-3,5,6-trichloropyridine-2-carboxylate, 4-AMINO-3,5,6-TRICHLORO-PYRIDINE-2-CARBOXYLIC ACID BUTYL ESTER, 665-684-0, RefChem:517716
| Molecular Formula | C10H11Cl3N2O2 |
|---|---|
| Molecular Weight | 295.99 g/mol |
| LogP | 3.5809 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.98862 |
| Heavy Atoms | 17 |
| Complexity | 438.04947 |
Chemical Identifiers
| CAS Number | 19677-58-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=NC(=C(C(=C1Cl)N)Cl)Cl |
Product Overview
4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester (CAS 19677-58-8), with molecular formula C10H11Cl3N2O2 and molecular weight 295.99 g/mol. IUPAC: butyl 4-amino-3,5,6-trichloropyridine-2-carboxylate.
Chemical Property Profile of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
Property Insights of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester
The XLogP value of 3.5809 indicates that 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester. Following Lipinski's Rule of Five, 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester has 1 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 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester?
The CAS number of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester is 19677-58-8.
What is the molecular formula of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester?
The molecular formula of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester is C10H11Cl3N2O2.
What is the molecular weight of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester?
The molecular weight of 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester is 295.99 g/mol.
Where can I buy 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester?
You can request a quote for 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5,6-trichloro-pyridine-2-carboxylic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.