5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide
TL;DR: 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide (CAS 303062-18-2) is a chemical compound with molecular formula C18H13BrCl3N3O2S and molecular weight 518.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]furan-2-carboxamide
Also Known As: 5-Bromo-N-(2,2,2-trichloro-1-(3-(naphthalen-1-yl)thioureido)ethyl)furan-2-carboxamide, 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide, 5-bromo-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbothioyl]amino}ethyl)-2-furamide, 5-bromo-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]furan-2-carboxamide, 5-bromo-N-[2,2,2-trichloro-1-(naphthalen-1-ylthiocarbamoylamino)ethyl]furan-2-carboxamide
| Molecular Formula | C18H13BrCl3N3O2S |
|---|---|
| Molecular Weight | 518.90 g/mol |
| LogP | 5.608 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.89777 |
| Heavy Atoms | 28 |
| Complexity | 1017.2285 |
Chemical Identifiers
| CAS Number | 303062-18-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(O3)Br |
Product Overview
5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide (CAS 303062-18-2), with molecular formula C18H13BrCl3N3O2S and molecular weight 518.90 g/mol. IUPAC: 5-bromo-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]furan-2-carboxamide.
Chemical Property Profile of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide
Property Insights of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide
The XLogP value of 5.608 indicates that 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide. Following Lipinski's Rule of Five, 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide?
The CAS number of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide is 303062-18-2.
What is the molecular formula of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide?
The molecular formula of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide is C18H13BrCl3N3O2S.
What is the molecular weight of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide?
The molecular weight of 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide is 518.90 g/mol.
Where can I buy 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide?
You can request a quote for 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide?
Yes, KEHONG BIO provides custom synthesis services for 5-BR-N-(2,2,2-Trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)-2-furamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.