4-Nitrophenyl 2-fluoropropanoate
TL;DR: 4-Nitrophenyl 2-fluoropropanoate (CAS 178183-05-6) is a chemical compound with molecular formula C9H8FNO4 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-fluoropropanoate
Also Known As: 4-NITROPHENYL 2-FLUOROPROPANOATE, Npfp cpd, 4-Nitrophenyl 2-fluoropropionate, (4-nitrophenyl) 2-fluoropropanoate, 4-nitrophenyl 2-(18F)fluoropropionate
| Molecular Formula | C9H8FNO4 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.04373 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 178183-05-6 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])F |
| InChIKey | PWHWEEINSXYFAE-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl 2-fluoropropanoate (CAS 178183-05-6), with molecular formula C9H8FNO4 and molecular weight 213.04 g/mol. IUPAC: (4-nitrophenyl) 2-fluoropropanoate.
Chemical Property Profile of 4-Nitrophenyl 2-fluoropropanoate
Property Insights of 4-Nitrophenyl 2-fluoropropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 2-fluoropropanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 2-fluoropropanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-fluoropropanoate 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
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl 2-fluoropropanoate?
The CAS number of 4-Nitrophenyl 2-fluoropropanoate is 178183-05-6.
What is the molecular formula of 4-Nitrophenyl 2-fluoropropanoate?
The molecular formula of 4-Nitrophenyl 2-fluoropropanoate is C9H8FNO4.
What is the molecular weight of 4-Nitrophenyl 2-fluoropropanoate?
The molecular weight of 4-Nitrophenyl 2-fluoropropanoate is 213.04 g/mol.
Where can I buy 4-Nitrophenyl 2-fluoropropanoate?
You can request a quote for 4-Nitrophenyl 2-fluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 2-fluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 2-fluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.