2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
TL;DR: 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (CAS 219539-67-0) is a chemical compound with molecular formula C14H6ClF3N2O6 and molecular weight 389.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate
Also Known As: 2-nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate, [2-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate
| Molecular Formula | C14H6ClF3N2O6 |
|---|---|
| Molecular Weight | 389.99 g/mol |
| LogP | 4.3944 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.98663 |
| Heavy Atoms | 26 |
| Complexity | 916.0405 |
Chemical Identifiers
| CAS Number | 219539-67-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate (CAS 219539-67-0), with molecular formula C14H6ClF3N2O6 and molecular weight 389.99 g/mol. IUPAC: [2-nitro-4-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
Property Insights of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate
The XLogP value of 4.3944 indicates that 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-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-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The CAS number of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is 219539-67-0.
What is the molecular formula of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular formula of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is C14H6ClF3N2O6.
What is the molecular weight of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
The molecular weight of 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate is 389.99 g/mol.
Where can I buy 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
You can request a quote for 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-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-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-(trifluoromethyl)phenyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.