Erex
TL;DR: Erex (CAS 113811-47-5) is a chemical compound with molecular formula C20H22Cl7N3O2 and molecular weight 580.9532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;1,2,3,4,5,6-hexachlorocyclohexane
Also Known As: Erex, KST-1A9913, 2-Aethoxy-5-nitro-trans-zimtsaeure, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one; 1,2,3,4,5,6-hexachlorocyclohexane, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one- 1,2,3,4,5,6-hexachlorocyclohexane(1:1)
Technical Specifications
| Molecular Formula | C20H22Cl7N3O2 |
| Molecular Weight | 580.9532 g/mol |
| XLogP | 6.7687 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.9532 Da |
| Heavy Atoms | 32 |
| Complexity | 441.0 |
| SMILES | CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | TXVSKICRKPPKAZ-UHFFFAOYSA-N |
Chemical Property Profile of Erex
Property Insights of Erex
The XLogP value of 6.7687 indicates that Erex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, Erex exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Erex has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Erex?
The CAS number of Erex is 113811-47-5.
What is the molecular formula of Erex?
The molecular formula of Erex is C20H22Cl7N3O2.
What is the molecular weight of Erex?
The molecular weight of Erex is 580.9532 g/mol.
Where can I buy Erex?
You can request a quote for Erex directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Erex?
Yes, CoreyChem provides custom synthesis services for Erex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.