2-Nitrophenyl 4-fluorobenzoate
TL;DR: 2-Nitrophenyl 4-fluorobenzoate (CAS 90172-37-5) is a chemical compound with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) 4-fluorobenzoate
Also Known As: 2-nitrophenyl 4-fluorobenzoate, (2-nitrophenyl) 4-fluorobenzoate
| Molecular Formula | C13H8FNO4 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04373 |
| Heavy Atoms | 19 |
| Complexity | 624.7953 |
Chemical Identifiers
| CAS Number | 90172-37-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)F |
Product Overview
2-Nitrophenyl 4-fluorobenzoate (CAS 90172-37-5), with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol. IUPAC: (2-nitrophenyl) 4-fluorobenzoate.
Chemical Property Profile of 2-Nitrophenyl 4-fluorobenzoate
Property Insights of 2-Nitrophenyl 4-fluorobenzoate
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl 4-fluorobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-Nitrophenyl 4-fluorobenzoate 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 2-Nitrophenyl 4-fluorobenzoate?
The CAS number of 2-Nitrophenyl 4-fluorobenzoate is 90172-37-5.
What is the molecular formula of 2-Nitrophenyl 4-fluorobenzoate?
The molecular formula of 2-Nitrophenyl 4-fluorobenzoate is C13H8FNO4.
What is the molecular weight of 2-Nitrophenyl 4-fluorobenzoate?
The molecular weight of 2-Nitrophenyl 4-fluorobenzoate is 261.04 g/mol.
Where can I buy 2-Nitrophenyl 4-fluorobenzoate?
You can request a quote for 2-Nitrophenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.