Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea
TL;DR: Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea (CAS 90598-98-4) is a chemical compound with molecular formula C23H18Cl3FN4O3S and molecular weight 554.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
Also Known As: CGK733, CGK 733, ATM/ATR Kinase Inhibitor, ATM/ATR Kinase, nchembio800-comp1
| Molecular Formula | C23H18Cl3FN4O3S |
|---|---|
| Molecular Weight | 554.01 g/mol |
| LogP | 5.6649 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.0149 |
| Heavy Atoms | 35 |
| Complexity | 1174.1383 |
Chemical Identifiers
| CAS Number | 90598-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea (CAS 90598-98-4), with molecular formula C23H18Cl3FN4O3S and molecular weight 554.01 g/mol. IUPAC: 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea
Property Insights of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea
The XLogP value of 5.6649 indicates that Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea. Following Lipinski's Rule of Five, Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea 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 Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea?
The CAS number of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea is 90598-98-4.
What is the molecular formula of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea?
The molecular formula of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea is C23H18Cl3FN4O3S.
What is the molecular weight of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea?
The molecular weight of Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea is 554.01 g/mol.
Where can I buy Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea?
You can request a quote for Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.