![3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide structure](/static/products/3029/302901-93-5.webp)
3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide
TL;DR: 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide (CAS 302901-93-5) is a chemical compound with molecular formula C22H17Cl4N5OS and molecular weight 538.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide, 3-chloro-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide, Benzamide, 3-chloro-N-[2,2,2-trichloro-1-[[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]amino]ethyl]-
| Molecular Formula | C22H17Cl4N5OS |
|---|---|
| Molecular Weight | 538.99 g/mol |
| LogP | 7.1681 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.9908 |
| Heavy Atoms | 33 |
| Complexity | 1137.5281 |
Chemical Identifiers
| CAS Number | 302901-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide (CAS 302901-93-5), with molecular formula C22H17Cl4N5OS and molecular weight 538.99 g/mol. IUPAC: 3-chloro-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide
Property Insights of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide
The XLogP value of 7.1681 indicates that 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide 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 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide. Following Lipinski's Rule of Five, 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide 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 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide?
The CAS number of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide is 302901-93-5.
What is the molecular formula of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide?
The molecular formula of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide is C22H17Cl4N5OS.
What is the molecular weight of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide?
The molecular weight of 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide is 538.99 g/mol.
Where can I buy 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide?
You can request a quote for 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]anilino}carbothioyl)amino]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.