Cyclohexanone oxime 3-trifluoromethylcarbanilate
TL;DR: Cyclohexanone oxime 3-trifluoromethylcarbanilate (CAS 200876-96-6) is a chemical compound with molecular formula C14H15F3N2O2 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(cyclohexylideneamino) N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: Cyclohexanone oxime 3-trifluoromethylcarbanilate, (cyclohexylideneamino) N-[3-(trifluoromethyl)phenyl]carbamate, cyclohexylideneamino N-[3-(trifluoromethyl)phenyl]carbamate, 1-({[(cyclohexylideneamino)oxy]carbonyl}amino)-3-(trifluoromethyl)benzene
| Molecular Formula | C14H15F3N2O2 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 4.574 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.10855 |
| Heavy Atoms | 21 |
| Complexity | 533.2658 |
Chemical Identifiers
| CAS Number | 200876-96-6 |
|---|---|
| SMILES | C1CCC(=NOC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC1 |
Product Overview
Cyclohexanone oxime 3-trifluoromethylcarbanilate (CAS 200876-96-6), with molecular formula C14H15F3N2O2 and molecular weight 300.11 g/mol. IUPAC: (cyclohexylideneamino) N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Cyclohexanone oxime 3-trifluoromethylcarbanilate
Property Insights of Cyclohexanone oxime 3-trifluoromethylcarbanilate
The XLogP value of 4.574 indicates that Cyclohexanone oxime 3-trifluoromethylcarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.69 Ų, Cyclohexanone oxime 3-trifluoromethylcarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone oxime 3-trifluoromethylcarbanilate has 1 hydrogen bond donor(s) and 3 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 Cyclohexanone oxime 3-trifluoromethylcarbanilate?
The CAS number of Cyclohexanone oxime 3-trifluoromethylcarbanilate is 200876-96-6.
What is the molecular formula of Cyclohexanone oxime 3-trifluoromethylcarbanilate?
The molecular formula of Cyclohexanone oxime 3-trifluoromethylcarbanilate is C14H15F3N2O2.
What is the molecular weight of Cyclohexanone oxime 3-trifluoromethylcarbanilate?
The molecular weight of Cyclohexanone oxime 3-trifluoromethylcarbanilate is 300.11 g/mol.
Where can I buy Cyclohexanone oxime 3-trifluoromethylcarbanilate?
You can request a quote for Cyclohexanone oxime 3-trifluoromethylcarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone oxime 3-trifluoromethylcarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone oxime 3-trifluoromethylcarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.