![[(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate structure](/static/products/731/731829-55-3.png)
[(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
TL;DR: [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731829-55-3) is a chemical compound with molecular formula C20H21N3O8S and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: (4-ethoxy-2-nitro-phenyl)carbamoylmethyl 2-(2-phenylethenylsulfonylamino)acetate, [(4-ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate, [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
| Molecular Formula | C20H21N3O8S |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 2.0655 |
| Topological Polar Surface Area | 153.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 463.10495 |
| Heavy Atoms | 32 |
| Complexity | 1101.0829 |
Chemical Identifiers
| CAS Number | 731829-55-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
[(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731829-55-3), with molecular formula C20H21N3O8S and molecular weight 463.10 g/mol. IUPAC: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
Chemical Property Profile of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
Property Insights of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate
The XLogP value of 2.0655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate. The TPSA of 153.94 Ų indicates high polarity, suggesting [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate has 2 hydrogen bond donor(s) and 8 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-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The CAS number of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is 731829-55-3.
What is the molecular formula of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular formula of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is C20H21N3O8S.
What is the molecular weight of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular weight of [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate is 463.10 g/mol.
Where can I buy [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
You can request a quote for [(4-Ethoxy-2-nitrophenyl)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 [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for [(4-Ethoxy-2-nitrophenyl)carbamoyl]methyl 2-(2-phenylethenesulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.