2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide
TL;DR: 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide (CAS 905973-89-9) is a chemical compound with molecular formula C23H19Cl3FN3OS and molecular weight 509.03 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-fluorophenyl)carbamothioylamino]ethyl]acetamide
Also Known As: ATM/ATR Kinase Inhibitor, BAS 00160395, 2,2-DIPHENYL-N-(2,2,2-TRICHLORO-1-(3-(4-F-PHENYL)-THIOUREIDO)-ETHYL)-ACETAMIDE, 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluorophenyl)carbamothioylamino]ethyl]acetamide
| Molecular Formula | C23H19Cl3FN3OS |
|---|---|
| Molecular Weight | 509.03 g/mol |
| LogP | 5.7567 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.02985 |
| Heavy Atoms | 32 |
| Complexity | 1008.09155 |
Chemical Identifiers
| CAS Number | 905973-89-9 |
|---|---|
| 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 |
Product Overview
2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide (CAS 905973-89-9), with molecular formula C23H19Cl3FN3OS and molecular weight 509.03 g/mol. IUPAC: 2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluorophenyl)carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide
Property Insights of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide
The XLogP value of 5.7567 indicates that 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide?
The CAS number of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide is 905973-89-9.
What is the molecular formula of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide?
The molecular formula of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide is C23H19Cl3FN3OS.
What is the molecular weight of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide?
The molecular weight of 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide is 509.03 g/mol.
Where can I buy 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide?
You can request a quote for 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenyl-N-(2,2,2-trichloro-1-(3-(4-F-phenyl)-thioureido)-ethyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.