![Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate structure](/static/products/275/27573-58-6.png)
Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate
TL;DR: Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate (CAS 27573-58-6) is a chemical compound with molecular formula C9H8F3NO4S and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(trifluoromethylsulfonylamino)benzoate
Also Known As: Methyl 4-(trifluoromethylsulfonylamino)benzoate, methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate, methyl 4-(trifluoromethylsulfonamido)benzoate
| Molecular Formula | C9H8F3NO4S |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 1.7347 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0126 |
| Heavy Atoms | 18 |
| Complexity | 535.92633 |
Chemical Identifiers
| CAS Number | 27573-58-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F |
Product Overview
Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate (CAS 27573-58-6), with molecular formula C9H8F3NO4S and molecular weight 283.01 g/mol. IUPAC: methyl 4-(trifluoromethylsulfonylamino)benzoate.
Chemical Property Profile of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate
Property Insights of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate
The XLogP value of 1.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 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 4-{[(trifluoromethyl)sulfonyl]amino}benzoate?
The CAS number of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate is 27573-58-6.
What is the molecular formula of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate?
The molecular formula of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate is C9H8F3NO4S.
What is the molecular weight of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate?
The molecular weight of Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate is 283.01 g/mol.
Where can I buy Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate?
You can request a quote for Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(trifluoromethyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.