毒莠定
TL;DR: 毒莠定 (CAS 1918-02-1) is a chemical compound with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毒莠定
4-amino-3,5,6-trichloropyridine-2-carboxylic acid
Also Known As: PICLORAM, Tordon, Borolin, Amdon, Grazon
| Molecular Formula | C6H3Cl3N2O2 |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.92601 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| Melting Point | 200.0 °C (decomposes) |
| Boiling Point | Decomposes |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | Tordon 22k: 46 °C toc; tordon 101 mixture |
| Vapor Pressure | 6.16e-07 mmHg at 35.0 °C |
Chemical Identifiers
| CAS Number | 1918-02-1 |
|---|---|
| SMILES | C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N |
| InChIKey | NQQVFXUMIDALNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
毒莠定 (CAS 1918-02-1), with molecular formula C6H3Cl3N2O2 and molecular weight 239.93 g/mol. IUPAC: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid.
Chemical Property Profile of 毒莠定
Property Insights of 毒莠定
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 毒莠定. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 毒莠定. Following Lipinski's Rule of Five, 毒莠定 has 2 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 毒莠定?
The CAS number of 毒莠定 is 1918-02-1.
What is the molecular formula of 毒莠定?
The molecular formula of 毒莠定 is C6H3Cl3N2O2.
What is the molecular weight of 毒莠定?
The molecular weight of 毒莠定 is 239.93 g/mol.
Where can I buy 毒莠定?
You can request a quote for 毒莠定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毒莠定?
Yes, KEHONG BIO provides custom synthesis services for 毒莠定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.