![2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate structure](/static/products/5364/5364-10-3.webp)
2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate
TL;DR: 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate (CAS 5364-10-3) is a chemical compound with molecular formula C16H11ClF2N2O6 and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
Also Known As: T0514-1977, [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate, 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate
| Molecular Formula | C16H11ClF2N2O6 |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 3.6451 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.02737 |
| Heavy Atoms | 27 |
| Complexity | 860.4891 |
Chemical Identifiers
| CAS Number | 5364-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])OC(F)F |
Product Overview
2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate (CAS 5364-10-3), with molecular formula C16H11ClF2N2O6 and molecular weight 400.03 g/mol. IUPAC: [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate.
Chemical Property Profile of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate
Property Insights of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate
The XLogP value of 3.6451 indicates that 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate has 1 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-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate?
The CAS number of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate is 5364-10-3.
What is the molecular formula of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate?
The molecular formula of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate is C16H11ClF2N2O6.
What is the molecular weight of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate?
The molecular weight of 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate is 400.03 g/mol.
Where can I buy 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate?
You can request a quote for 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-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-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Difluoromethoxy)anilino]-2-oxoethyl 5-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.