Nitroflurbiprofen
TL;DR: Nitroflurbiprofen (CAS 158836-71-6) is a chemical compound with molecular formula C19H20FNO5 and molecular weight 361.13254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitrooxybutyl 2-(3-fluoro-4-phenylphenyl)propanoate
Also Known As: Nitroflurbiprofen, NO-flurbiprofen, Flurbinitroxybutylester, Nitroxybutyl flurbiprofen, Nitroflurbioprofen
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H20FNO5 |
| Molecular Weight | 361.13254 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.13254 Da |
| Heavy Atoms | 26 |
| Complexity | 450.0 |
| SMILES | CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OCCCCO[N+](=O)[O-] |
| InChIKey | DLWSRGHNJVLJAH-UHFFFAOYSA-N |
Chemical Property Profile of Nitroflurbiprofen
Property Insights of Nitroflurbiprofen
The XLogP value of 5.5 indicates that Nitroflurbiprofen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroflurbiprofen. Following Lipinski's Rule of Five, Nitroflurbiprofen has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nitroflurbiprofen?
The CAS number of Nitroflurbiprofen is 158836-71-6.
What is the molecular formula of Nitroflurbiprofen?
The molecular formula of Nitroflurbiprofen is C19H20FNO5.
What is the molecular weight of Nitroflurbiprofen?
The molecular weight of Nitroflurbiprofen is 361.13254 g/mol.
Where can I buy Nitroflurbiprofen?
You can request a quote for Nitroflurbiprofen directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitroflurbiprofen?
Yes, CoreyChem provides custom synthesis services for Nitroflurbiprofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.