Citaldoxime
TL;DR: Citaldoxime (CAS 117091-61-9) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone
Also Known As: Citaldoxime, DIKOBVULVNJCCO-ZROIWOOFSA-, (2E)-2-hydroxyimino-1-[4-(3-methylbut-2-enoxy)phenyl]ethanone, Benzeneacetaldehyde, 4-((3-methyl-2-butenyl)oxy)-alpha-oxo-, aldoxime, (Z)-
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | CC(=CCOC1=CC=C(C=C1)C(=O)/C=N\O)C |
| InChIKey | DIKOBVULVNJCCO-ZROIWOOFSA-N |
Chemical Property Profile of Citaldoxime
Property Insights of Citaldoxime
The XLogP value of 3.5 indicates that Citaldoxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Citaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citaldoxime has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Citaldoxime?
The CAS number of Citaldoxime is 117091-61-9.
What is the molecular formula of Citaldoxime?
The molecular formula of Citaldoxime is C13H15NO3.
What is the molecular weight of Citaldoxime?
The molecular weight of Citaldoxime is 233.1052 g/mol.
Where can I buy Citaldoxime?
You can request a quote for Citaldoxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citaldoxime?
Yes, CoreyChem provides custom synthesis services for Citaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.