Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester
TL;DR: Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester (CAS 86823-18-9) is a chemical compound with molecular formula C15H9ClF3NO4 and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrosobenzoate
Also Known As: Methyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrosobenzoate, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester, methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrosobenzoate
| Molecular Formula | C15H9ClF3NO4 |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0172 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 86823-18-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)N=O |
| InChIKey | NZQLMQOKRHHXTJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester (CAS 86823-18-9), with molecular formula C15H9ClF3NO4 and molecular weight 359.02 g/mol. IUPAC: methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrosobenzoate.
Chemical Property Profile of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester
Property Insights of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester has 0 hydrogen bond donor(s) and 8 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 Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester?
The CAS number of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester is 86823-18-9.
What is the molecular formula of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester?
The molecular formula of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester is C15H9ClF3NO4.
What is the molecular weight of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester?
The molecular weight of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester is 359.02 g/mol.
Where can I buy Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester?
You can request a quote for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitroso-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.