氯硝柳胺乙醇胺盐
TL;DR: 氯硝柳胺乙醇胺盐 (CAS 1420-04-8) is a chemical compound with molecular formula C15H15Cl2N3O5 and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯硝柳胺乙醇胺盐
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Also Known As: Clonitralid, Niclosamide-olamine, Niclosamide ethanolamine salt, Bayluscide, Mollutox
| Molecular Formula | C15H15Cl2N3O5 |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.03888 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
| Melting Point | 421 to 230.0 °C |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.00000008 [mmHg] |
Chemical Identifiers
| CAS Number | 1420-04-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N |
| InChIKey | XYCDHXSQODHSLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯硝柳胺乙醇胺盐 (CAS 1420-04-8), with molecular formula C15H15Cl2N3O5 and molecular weight 387.04 g/mol. IUPAC: 2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide.
Chemical Property Profile of 氯硝柳胺乙醇胺盐
Property Insights of 氯硝柳胺乙醇胺盐
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯硝柳胺乙醇胺盐. The TPSA of 141.0 Ų indicates high polarity, suggesting 氯硝柳胺乙醇胺盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 氯硝柳胺乙醇胺盐 has 4 hydrogen bond donor(s) and 6 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 氯硝柳胺乙醇胺盐?
The CAS number of 氯硝柳胺乙醇胺盐 is 1420-04-8.
What is the molecular formula of 氯硝柳胺乙醇胺盐?
The molecular formula of 氯硝柳胺乙醇胺盐 is C15H15Cl2N3O5.
What is the molecular weight of 氯硝柳胺乙醇胺盐?
The molecular weight of 氯硝柳胺乙醇胺盐 is 387.04 g/mol.
Where can I buy 氯硝柳胺乙醇胺盐?
You can request a quote for 氯硝柳胺乙醇胺盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯硝柳胺乙醇胺盐?
Yes, KEHONG BIO provides custom synthesis services for 氯硝柳胺乙醇胺盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.