4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate
TL;DR: 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate (CAS 314767-48-1) is a chemical compound with molecular formula C12H10F5NO4 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5,5-pentafluoropentyl 3-nitrobenzoate
Also Known As: 4,4,5,5,5-pentafluoropentyl 3-nitrobenzoate, BAS 00821837, AB00082884-01, AB00082884-03, AN-329/40246250
| Molecular Formula | C12H10F5NO4 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 3.7294 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.053 |
| Heavy Atoms | 22 |
| Complexity | 558.69275 |
Chemical Identifiers
| CAS Number | 314767-48-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCC(C(F)(F)F)(F)F |
Product Overview
4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate (CAS 314767-48-1), with molecular formula C12H10F5NO4 and molecular weight 327.05 g/mol. IUPAC: 4,4,5,5,5-pentafluoropentyl 3-nitrobenzoate.
Chemical Property Profile of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate
Property Insights of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate
The XLogP value of 3.7294 indicates that 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate 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 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate?
The CAS number of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate is 314767-48-1.
What is the molecular formula of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate?
The molecular formula of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate is C12H10F5NO4.
What is the molecular weight of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate?
The molecular weight of 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate is 327.05 g/mol.
Where can I buy 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate?
You can request a quote for 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5,5-Pentafluoropentyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.