2,4-Difluorobenzyl 3-nitrobenzoate
TL;DR: 2,4-Difluorobenzyl 3-nitrobenzoate (CAS 303133-70-2) is a chemical compound with molecular formula C14H9F2NO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-difluorophenyl)methyl 3-nitrobenzoate
Also Known As: 2,4-difluorobenzyl 3-nitrobenzoate, (2,4-difluorophenyl)methyl 3-nitrobenzoate, AB01332673-02
| Molecular Formula | C14H9F2NO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04996 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 303133-70-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)F)F |
| InChIKey | VGUGWQJGNCOQTG-UHFFFAOYSA-N |
Product Overview
2,4-Difluorobenzyl 3-nitrobenzoate (CAS 303133-70-2), with molecular formula C14H9F2NO4 and molecular weight 293.05 g/mol. IUPAC: (2,4-difluorophenyl)methyl 3-nitrobenzoate.
Chemical Property Profile of 2,4-Difluorobenzyl 3-nitrobenzoate
Property Insights of 2,4-Difluorobenzyl 3-nitrobenzoate
The XLogP value of 3.3 indicates that 2,4-Difluorobenzyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Difluorobenzyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2,4-Difluorobenzyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 2,4-Difluorobenzyl 3-nitrobenzoate?
The CAS number of 2,4-Difluorobenzyl 3-nitrobenzoate is 303133-70-2.
What is the molecular formula of 2,4-Difluorobenzyl 3-nitrobenzoate?
The molecular formula of 2,4-Difluorobenzyl 3-nitrobenzoate is C14H9F2NO4.
What is the molecular weight of 2,4-Difluorobenzyl 3-nitrobenzoate?
The molecular weight of 2,4-Difluorobenzyl 3-nitrobenzoate is 293.05 g/mol.
Where can I buy 2,4-Difluorobenzyl 3-nitrobenzoate?
You can request a quote for 2,4-Difluorobenzyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Difluorobenzyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Difluorobenzyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.