2,4,6-Trimethylbenzaldehyde oxime
TL;DR: 2,4,6-Trimethylbenzaldehyde oxime (CAS 54130-63-1) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine
Also Known As: 2,6-Trimethylbenzaldoxime, (E)-2,4,6-Trimethylbenzaldehyde oxime, 2,4,6-Trimethylbenzaldehyde oxime, 2,6-Trimethylbenzaldehyde oxime, N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 2.41996 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 292.60977 |
Chemical Identifiers
| CAS Number | 54130-63-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)/C=N/O)C |
Product Overview
2,4,6-Trimethylbenzaldehyde oxime (CAS 54130-63-1), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: (NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine.
Chemical Property Profile of 2,4,6-Trimethylbenzaldehyde oxime
Property Insights of 2,4,6-Trimethylbenzaldehyde oxime
The XLogP value of 2.41996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzaldehyde oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 2,4,6-Trimethylbenzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzaldehyde oxime 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
Frequently Asked Questions
What is the CAS number of 2,4,6-Trimethylbenzaldehyde oxime?
The CAS number of 2,4,6-Trimethylbenzaldehyde oxime is 54130-63-1.
What is the molecular formula of 2,4,6-Trimethylbenzaldehyde oxime?
The molecular formula of 2,4,6-Trimethylbenzaldehyde oxime is C10H13NO.
What is the molecular weight of 2,4,6-Trimethylbenzaldehyde oxime?
The molecular weight of 2,4,6-Trimethylbenzaldehyde oxime is 163.10 g/mol.
Where can I buy 2,4,6-Trimethylbenzaldehyde oxime?
You can request a quote for 2,4,6-Trimethylbenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.