![[(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate structure](/static/products/7318/731827-53-5.webp)
[(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
TL;DR: [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731827-53-5) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: [(2-ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate|[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate|SMR000242552|MLS000417343|EN300-26587770
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 2.62942 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 985.386 |
Chemical Identifiers
| CAS Number | 731827-53-5 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)C |
Product Overview
[(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731827-53-5), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
Chemical Property Profile of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
Property Insights of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
The XLogP value of 2.62942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate. Following Lipinski's Rule of Five, [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate has 2 hydrogen bond donor(s) and 5 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 [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The CAS number of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is 731827-53-5.
What is the molecular formula of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular formula of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is C21H24N2O5S.
What is the molecular weight of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular weight of [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is 416.14 g/mol.
Where can I buy [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
You can request a quote for [(2-Ethyl-6-methylphenyl)carbamoyl]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 [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Ethyl-6-methylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.