4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate
TL;DR: 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate (CAS 59733-94-7) is a chemical compound with molecular formula C9H4F3N3O4 and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-diazo-3,3,3-trifluoropropanoate
Also Known As: 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate, p-nitrophenyl-2-diazo-3,3,3-trifluoropropionate, Propanoic acid, 2-diazo-3,3,3-trifluoro-, 4-nitrophenyl ester, (E)-2-diazonio-3,3,3-trifluoro-1-(4-nitrophenoxy)prop-1-en-1-olate, RefChem:100124
| Molecular Formula | C9H4F3N3O4 |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 1.7333 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.01538 |
| Heavy Atoms | 19 |
| Complexity | 561.06775 |
Chemical Identifiers
| CAS Number | 59733-94-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(=[N+]=[N-])C(F)(F)F |
Product Overview
4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate (CAS 59733-94-7), with molecular formula C9H4F3N3O4 and molecular weight 275.02 g/mol. IUPAC: (4-nitrophenyl) 2-diazo-3,3,3-trifluoropropanoate.
Chemical Property Profile of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate
Property Insights of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate
The XLogP value of 1.7333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate has 0 hydrogen bond donor(s) and 4 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-diazo-3,3,3-trifluoropropionate?
The CAS number of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate is 59733-94-7.
What is the molecular formula of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate?
The molecular formula of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate is C9H4F3N3O4.
What is the molecular weight of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate?
The molecular weight of 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate is 275.02 g/mol.
Where can I buy 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate?
You can request a quote for 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate 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-diazo-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl-2-diazo-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.