![N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide structure](/static/products/1164/1164464-63-4.webp)
N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide
TL;DR: N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide (CAS 1164464-63-4) is a chemical compound with molecular formula C19H20Cl3N5OS and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]butanamide
Also Known As: BAS 00157622, N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide, N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]butanamide, N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}butanamide, N-[2,2,2-trichloro-1-[(4-phenylazophenyl)thiocarbamoylamino]ethyl]butyramide
| Molecular Formula | C19H20Cl3N5OS |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | 6.001 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.0454 |
| Heavy Atoms | 29 |
| Complexity | 841.17316 |
Chemical Identifiers
| CAS Number | 1164464-63-4 |
|---|---|
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2 |
Product Overview
N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide (CAS 1164464-63-4), with molecular formula C19H20Cl3N5OS and molecular weight 471.05 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]butanamide.
Chemical Property Profile of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide
Property Insights of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide
The XLogP value of 6.001 indicates that N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide. Following Lipinski's Rule of Five, N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide has 3 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 N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide?
The CAS number of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide is 1164464-63-4.
What is the molecular formula of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide?
The molecular formula of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide is C19H20Cl3N5OS.
What is the molecular weight of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide?
The molecular weight of N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide is 471.05 g/mol.
Where can I buy N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide?
You can request a quote for N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-{2,2,2-Trichloro-1-[3-(4-phenylazo-phenyl)-thioureido]-ethyl}-butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.