![4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate structure](/static/products/3390/339019-20-4.webp)
4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate
TL;DR: 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate (CAS 339019-20-4) is a chemical compound with molecular formula C21H24F3NO4S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)methyl 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetate
Also Known As: 7N-437S, 4-(tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate, (4-tert-butylphenyl)methyl 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetate, (4-tert-butylphenyl)methyl 2-{N-[3-(trifluoromethyl)phenyl]methanesulfonamido}acetate, (4-tert-butylphenyl)methyl2-{N-[3-(trifluoromethyl)phenyl]methanesulfonamido}acetate
| Molecular Formula | C21H24F3NO4S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 4.5123 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.13782 |
| Heavy Atoms | 30 |
| Complexity | 994.1469 |
Chemical Identifiers
| CAS Number | 339019-20-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)COC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C |
Product Overview
4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate (CAS 339019-20-4), with molecular formula C21H24F3NO4S and molecular weight 443.14 g/mol. IUPAC: (4-tert-butylphenyl)methyl 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetate.
Chemical Property Profile of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate
Property Insights of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate
The XLogP value of 4.5123 indicates that 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate. Following Lipinski's Rule of Five, 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate has 0 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 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate?
The CAS number of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate is 339019-20-4.
What is the molecular formula of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate?
The molecular formula of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate is C21H24F3NO4S.
What is the molecular weight of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate?
The molecular weight of 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate is 443.14 g/mol.
Where can I buy 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate?
You can request a quote for 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)benzyl 2-[(methylsulfonyl)-3-(trifluoromethyl)anilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.