4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol
TL;DR: 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol (CAS 312505-99-0) is a chemical compound with molecular formula C10H5ClF3NO2 and molecular weight 263.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
Also Known As: 4-chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol, 4-chloro-2-[5-(trifluoromethyl)-3-isoxazolyl]phenol, 4-chloro-2-[5-(trifluoromethyl)isoxazol-3-yl]phenol, 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol, (6Z)-4-chloro-6-[5-(trifluoromethyl)-1,2-oxazol-3-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C10H5ClF3NO2 |
|---|---|
| Molecular Weight | 263.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.9961 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 312505-99-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C2=NOC(=C2)C(F)(F)F)O |
| InChIKey | KEMDXDPWPFAJBO-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol (CAS 312505-99-0), with molecular formula C10H5ClF3NO2 and molecular weight 263.00 g/mol. IUPAC: 4-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol.
Chemical Property Profile of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol
Property Insights of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol
The XLogP value of 3.2 indicates that 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol has 1 hydrogen bond donor(s) and 6 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-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol?
The CAS number of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol is 312505-99-0.
What is the molecular formula of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol?
The molecular formula of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol is C10H5ClF3NO2.
What is the molecular weight of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol?
The molecular weight of 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol is 263.00 g/mol.
Where can I buy 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol?
You can request a quote for 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(5-(trifluoromethyl)isoxazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.