4-Ethylbenzaldoxime
TL;DR: 4-Ethylbenzaldoxime (CAS 1187734-31-1) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-ethylphenyl)methylidene]hydroxylamine
Also Known As: 4-ethylbenzaldehyde oxime, 4-Ethylbenzaldoxime, Benzaldehyde, 4-ethyl-,oxime, (E)-4-Ethylbenzaldehyde oxime, N-[(4-ethylphenyl)methylidene]hydroxylamine
Technical Specifications
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.08406 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.08406 Da |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| SMILES | CCC1=CC=C(C=C1)C=NO |
| InChIKey | DCBIVYBFOCPTQI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethylbenzaldoxime
Property Insights of 4-Ethylbenzaldoxime
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzaldoxime. With a topological polar surface area (TPSA) of 32.6 Ų, 4-Ethylbenzaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzaldoxime has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethylbenzaldoxime?
The CAS number of 4-Ethylbenzaldoxime is 1187734-31-1.
What is the molecular formula of 4-Ethylbenzaldoxime?
The molecular formula of 4-Ethylbenzaldoxime is C9H11NO.
What is the molecular weight of 4-Ethylbenzaldoxime?
The molecular weight of 4-Ethylbenzaldoxime is 149.08406 g/mol.
Where can I buy 4-Ethylbenzaldoxime?
You can request a quote for 4-Ethylbenzaldoxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethylbenzaldoxime?
Yes, CoreyChem provides custom synthesis services for 4-Ethylbenzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.