![Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate structure](/static/products/3299/329931-70-6.webp)
Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
TL;DR: Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate (CAS 329931-70-6) is a chemical compound with molecular formula C16H10ClF3N2O5 and molecular weight 402.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate
Also Known As: BIM-0029172.P001, methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate, methyl 3-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-5-nitrobenzoate, methyl 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate, methyl 5-{N-[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-3-nitrobenzoate
| Molecular Formula | C16H10ClF3N2O5 |
|---|---|
| Molecular Weight | 402.02 g/mol |
| LogP | 4.3059 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.02304 |
| Heavy Atoms | 27 |
| Complexity | 930.75714 |
Chemical Identifiers
| CAS Number | 329931-70-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate (CAS 329931-70-6), with molecular formula C16H10ClF3N2O5 and molecular weight 402.02 g/mol. IUPAC: methyl 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
Property Insights of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate
The XLogP value of 4.3059 indicates that Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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 Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate?
The CAS number of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate is 329931-70-6.
What is the molecular formula of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate?
The molecular formula of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate is C16H10ClF3N2O5.
What is the molecular weight of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate?
The molecular weight of Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate is 402.02 g/mol.
Where can I buy Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate?
You can request a quote for Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.