Tox21_303375
TL;DR: Tox21_303375 (CAS 146011-65-6) is a chemical compound with molecular formula C30H22ClF3N2O2 and molecular weight 534.1322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea
Also Known As: Tox21_303375, FR 145237, CAS-146011-65-6, 1-benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-(2,4,6-trifluorophenyl)urea, 1-benzyl-1-[[3-(4-chlorophenyl)-5-methyl-1-benzouran-2-yl]methyl]-3-(2,4,6-triluorophenyl)urea
Technical Specifications
| Molecular Formula | C30H22ClF3N2O2 |
| Molecular Weight | 534.1322 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.1322 Da |
| Heavy Atoms | 38 |
| Complexity | 767.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Cl)CN(CC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5F)F)F |
| InChIKey | GJRPAGNTTAPJCC-UHFFFAOYSA-N |
Chemical Property Profile of Tox21_303375
Property Insights of Tox21_303375
The XLogP value of 7.5 indicates that Tox21_303375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Tox21_303375 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tox21_303375 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tox21_303375?
The CAS number of Tox21_303375 is 146011-65-6.
What is the molecular formula of Tox21_303375?
The molecular formula of Tox21_303375 is C30H22ClF3N2O2.
What is the molecular weight of Tox21_303375?
The molecular weight of Tox21_303375 is 534.1322 g/mol.
Where can I buy Tox21_303375?
You can request a quote for Tox21_303375 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tox21_303375?
Yes, CoreyChem provides custom synthesis services for Tox21_303375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.