Flunoxaprofen isocyanate
TL;DR: Flunoxaprofen isocyanate (CAS 125836-69-3) is a chemical compound with molecular formula C16H11FN2O2 and molecular weight 282.08044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole
Also Known As: Flunoxaprofen isocyanate, (-)-(S)-Flunoxaprofen isocyanate, 2-(4-fluorophenyl)-5-[(1S)-1-isocyanatoethyl]-1,3-benzoxazole, (S)-2-(4-Fluorophenyl)-5-(1-isocyanatoethyl)benzoxazole, (S)-1-[[2-(4-Fluorophenyl)benzoxazol]-5-yl]ethyl isocyanate
Technical Specifications
| Molecular Formula | C16H11FN2O2 |
| Molecular Weight | 282.08044 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08044 Da |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
| SMILES | C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F)N=C=O |
| InChIKey | UFVXLFRBVOVOFV-JTQLQIEISA-N |
Chemical Property Profile of Flunoxaprofen isocyanate
Property Insights of Flunoxaprofen isocyanate
The XLogP value of 4.7 indicates that Flunoxaprofen isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, Flunoxaprofen isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flunoxaprofen isocyanate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Flunoxaprofen isocyanate?
The CAS number of Flunoxaprofen isocyanate is 125836-69-3.
What is the molecular formula of Flunoxaprofen isocyanate?
The molecular formula of Flunoxaprofen isocyanate is C16H11FN2O2.
What is the molecular weight of Flunoxaprofen isocyanate?
The molecular weight of Flunoxaprofen isocyanate is 282.08044 g/mol.
Where can I buy Flunoxaprofen isocyanate?
You can request a quote for Flunoxaprofen isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Flunoxaprofen isocyanate?
Yes, CoreyChem provides custom synthesis services for Flunoxaprofen isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.