3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime
TL;DR: 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime (CAS 197907-37-2) is a chemical compound with molecular formula C10H7ClF3NO and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene)hydroxylamine
Also Known As: 3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime, N-(3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene)hydroxylamine
| Molecular Formula | C10H7ClF3NO |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 3.6588 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.01683 |
| Heavy Atoms | 16 |
| Complexity | 411.82236 |
Chemical Identifiers
| CAS Number | 197907-37-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(C(F)(F)F)Cl)C=NO |
Product Overview
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime (CAS 197907-37-2), with molecular formula C10H7ClF3NO and molecular weight 249.02 g/mol. IUPAC: N-(3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene)hydroxylamine.
Chemical Property Profile of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime
Property Insights of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime
The XLogP value of 3.6588 indicates that 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal 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-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal 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-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime?
The CAS number of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime is 197907-37-2.
What is the molecular formula of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime?
The molecular formula of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime is C10H7ClF3NO.
What is the molecular weight of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime?
The molecular weight of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime is 249.02 g/mol.
Where can I buy 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime?
You can request a quote for 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.