![methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate structure](/static/products/878/878095-60-4.png)
methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate
TL;DR: methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate (CAS 878095-60-4) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxymethyl]benzoate
Also Known As: methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate, methyl 4-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxymethyl]benzoate
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 2.41512 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 947.1954 |
Chemical Identifiers
| CAS Number | 878095-60-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC |
Product Overview
methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate (CAS 878095-60-4), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: methyl 4-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxymethyl]benzoate.
Chemical Property Profile of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate
Property Insights of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate
The XLogP value of 2.41512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate has 1 hydrogen bond donor(s) and 6 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-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate?
The CAS number of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate is 878095-60-4.
What is the molecular formula of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate?
The molecular formula of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate is C20H21NO6S.
What is the molecular weight of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate?
The molecular weight of methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate is 403.11 g/mol.
Where can I buy methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate?
You can request a quote for methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]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-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.