2-Benzoxazolinone, 5-(trifluoromethyl)-
TL;DR: 2-Benzoxazolinone, 5-(trifluoromethyl)- (CAS 14733-68-7) 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.
5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one
Also Known As: 5-(Trifluoromethyl)benzoxazol-2(3H)-one, 5-(trifluoromethyl)benzo[d]oxazol-2(3H)-one, 5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one, 5-(Trifluoromethyl)-2-benzoxazolinone, 2-BENZOXAZOLINONE, 5-(TRIFLUOROMETHYL)-
| Molecular Formula | C8H4F3NO2 |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.01941 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 14733-68-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=O)O2 |
| InChIKey | DNBWZEBCBIKPNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 5-(trifluoromethyl)- (CAS 14733-68-7), with molecular formula C8H4F3NO2 and molecular weight 203.02 g/mol. IUPAC: 5-(trifluoromethyl)-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5-(trifluoromethyl)-
Property Insights of 2-Benzoxazolinone, 5-(trifluoromethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Benzoxazolinone, 5-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 5 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 2-Benzoxazolinone, 5-(trifluoromethyl)-?
The CAS number of 2-Benzoxazolinone, 5-(trifluoromethyl)- is 14733-68-7.
What is the molecular formula of 2-Benzoxazolinone, 5-(trifluoromethyl)-?
The molecular formula of 2-Benzoxazolinone, 5-(trifluoromethyl)- is C8H4F3NO2.
What is the molecular weight of 2-Benzoxazolinone, 5-(trifluoromethyl)-?
The molecular weight of 2-Benzoxazolinone, 5-(trifluoromethyl)- is 203.02 g/mol.
Where can I buy 2-Benzoxazolinone, 5-(trifluoromethyl)-?
You can request a quote for 2-Benzoxazolinone, 5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.