4-Isocyanato-3-(trifluoromethyl)phenol
TL;DR: 4-Isocyanato-3-(trifluoromethyl)phenol (CAS 220239-70-3) is a chemical compound with molecular formula C8H4F3NO2 and molecular weight 203.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyanato-3-(trifluoromethyl)phenol
Also Known As: 4-isocyanato-3-(trifluoromethyl)phenol, 4-Hydroxy-2-(trifluoromethyl)phenylisocyanate, PHENOL, 4-ISOCYANATO-3-(TRIFLUOROMETHYL)-, Phenol, 4-isocyanato-3-(trifluoromethyl)- (9CI), 4-HYDROXY-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
| Molecular Formula | C8H4F3NO2 |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 2.3783 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.01941 |
| Heavy Atoms | 14 |
| Complexity | 394.06314 |
Chemical Identifiers
| CAS Number | 220239-70-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C(F)(F)F)N=C=O |
Product Overview
4-Isocyanato-3-(trifluoromethyl)phenol (CAS 220239-70-3), with molecular formula C8H4F3NO2 and molecular weight 203.02 g/mol. IUPAC: 4-isocyanato-3-(trifluoromethyl)phenol.
Chemical Property Profile of 4-Isocyanato-3-(trifluoromethyl)phenol
Property Insights of 4-Isocyanato-3-(trifluoromethyl)phenol
The XLogP value of 2.3783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isocyanato-3-(trifluoromethyl)phenol. With a topological polar surface area (TPSA) of 49.66 Ų, 4-Isocyanato-3-(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocyanato-3-(trifluoromethyl)phenol 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 4-Isocyanato-3-(trifluoromethyl)phenol?
The CAS number of 4-Isocyanato-3-(trifluoromethyl)phenol is 220239-70-3.
What is the molecular formula of 4-Isocyanato-3-(trifluoromethyl)phenol?
The molecular formula of 4-Isocyanato-3-(trifluoromethyl)phenol is C8H4F3NO2.
What is the molecular weight of 4-Isocyanato-3-(trifluoromethyl)phenol?
The molecular weight of 4-Isocyanato-3-(trifluoromethyl)phenol is 203.02 g/mol.
Where can I buy 4-Isocyanato-3-(trifluoromethyl)phenol?
You can request a quote for 4-Isocyanato-3-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isocyanato-3-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Isocyanato-3-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.