![[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate structure](/static/products/7875/787555-89-9.webp)
[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 787555-89-9) is a chemical compound with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate|[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate|EN300-26610898
| Molecular Formula | C21H19N3O6S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 3.19112 |
| Topological Polar Surface Area | 127.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.09946 |
| Heavy Atoms | 31 |
| Complexity | 1202.6177 |
Chemical Identifiers
| CAS Number | 787555-89-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3 |
Product Overview
[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 787555-89-9), with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol. IUPAC: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 3.19112 indicates that [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate has 2 hydrogen bond donor(s) and 7 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 [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 787555-89-9.
What is the molecular formula of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is C21H19N3O6S.
What is the molecular weight of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 441.10 g/mol.
Where can I buy [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.