3,5-Bis-trifluoromethyl-benzaldehyde oxime
TL;DR: 3,5-Bis-trifluoromethyl-benzaldehyde oxime (CAS 848825-79-6) is a chemical compound with molecular formula C9H5F6NO and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydroxylamine
Also Known As: Maybridge3_005019, 3,5-bis(trifluoromethyl)benzaldehyde oxime, 3,5-bis-trifluoromethyl-benzaldehyde oxime, N-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydroxylamine
| Molecular Formula | C9H5F6NO |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 3.5323 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.02753 |
| Heavy Atoms | 17 |
| Complexity | 401.8427 |
Chemical Identifiers
| CAS Number | 848825-79-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=NO |
Product Overview
3,5-Bis-trifluoromethyl-benzaldehyde oxime (CAS 848825-79-6), with molecular formula C9H5F6NO and molecular weight 257.03 g/mol. IUPAC: N-[[3,5-bis(trifluoromethyl)phenyl]methylidene]hydroxylamine.
Chemical Property Profile of 3,5-Bis-trifluoromethyl-benzaldehyde oxime
Property Insights of 3,5-Bis-trifluoromethyl-benzaldehyde oxime
The XLogP value of 3.5323 indicates that 3,5-Bis-trifluoromethyl-benzaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 3,5-Bis-trifluoromethyl-benzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis-trifluoromethyl-benzaldehyde 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 3,5-Bis-trifluoromethyl-benzaldehyde oxime?
The CAS number of 3,5-Bis-trifluoromethyl-benzaldehyde oxime is 848825-79-6.
What is the molecular formula of 3,5-Bis-trifluoromethyl-benzaldehyde oxime?
The molecular formula of 3,5-Bis-trifluoromethyl-benzaldehyde oxime is C9H5F6NO.
What is the molecular weight of 3,5-Bis-trifluoromethyl-benzaldehyde oxime?
The molecular weight of 3,5-Bis-trifluoromethyl-benzaldehyde oxime is 257.03 g/mol.
Where can I buy 3,5-Bis-trifluoromethyl-benzaldehyde oxime?
You can request a quote for 3,5-Bis-trifluoromethyl-benzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis-trifluoromethyl-benzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis-trifluoromethyl-benzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.