RefChem:1062923
TL;DR: RefChem:1062923 (CAS 101564-49-2) is a chemical compound with molecular formula C18H18Cl2F4N4O5 and molecular weight 516.059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloro-2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4,6,6-trimethylcyclohex-3-en-1-yl]-1,1,3,3-tetrafluoropropan-2-ol
Also Known As: 2-Cyclohexen-1-one, 6-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoropropyl)-3,5,5-trimethyl-, 2,4-dinitrophenylhydrazone, 1,3-dichloro-2-[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4,6,6-trimethylcyclohex-3-en-1-yl]-1,1,3,3-tetrafluoropropan-2-ol, 1,3-dichloro-2-{2-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-4,6,6-trimethylcyclohex-3-en-1-yl}-1,1,3,3-tetrafluoropropan-2-ol, 2-Cyclohexen-1-one,6-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoropropyl)-3,5,5-trimethyl-,2,4-dinitrophenylhydrazone, 6-[2-Chloro-1-(chlorodifluoromethyl)-2,2-difluoro-1-hydroxyethyl]-3,5,5-trimethyl-2-cyclohexen-1-one 2,4-dinitrophenyl hydrazone
Technical Specifications
| Molecular Formula | C18H18Cl2F4N4O5 |
| Molecular Weight | 516.059 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.059 Da |
| Heavy Atoms | 33 |
| Complexity | 846.0 |
| SMILES | CC1=C/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(C(C1)(C)C)C(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | RLVXDYCOAVWVHI-RPPGKUMJSA-N |
Chemical Property Profile of RefChem:1062923
Property Insights of RefChem:1062923
The XLogP value of 6.0 indicates that RefChem:1062923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062923. Following Lipinski's Rule of Five, RefChem:1062923 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1062923?
The CAS number of RefChem:1062923 is 101564-49-2.
What is the molecular formula of RefChem:1062923?
The molecular formula of RefChem:1062923 is C18H18Cl2F4N4O5.
What is the molecular weight of RefChem:1062923?
The molecular weight of RefChem:1062923 is 516.059 g/mol.
Where can I buy RefChem:1062923?
You can request a quote for RefChem:1062923 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1062923?
Yes, CoreyChem provides custom synthesis services for RefChem:1062923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.