(4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate
TL;DR: (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate (CAS 852175-84-9) is a chemical compound with molecular formula C21H25NO4S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: (4-tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate, (4-tert-butylphenyl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
| Molecular Formula | C21H25NO4S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 3.6176 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.15042 |
| Heavy Atoms | 27 |
| Complexity | 880.0289 |
Chemical Identifiers
| CAS Number | 852175-84-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2 |
Product Overview
(4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate (CAS 852175-84-9), with molecular formula C21H25NO4S and molecular weight 387.15 g/mol. IUPAC: (4-tert-butylphenyl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
Chemical Property Profile of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate
Property Insights of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate
The XLogP value of 3.6176 indicates that (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate. Following Lipinski's Rule of Five, (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate 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 (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate?
The CAS number of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate is 852175-84-9.
What is the molecular formula of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular formula of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate is C21H25NO4S.
What is the molecular weight of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular weight of (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate is 387.15 g/mol.
Where can I buy (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate?
You can request a quote for (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)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-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Tert-butylphenyl)methyl 2-(2-phenylethenesulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.