2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
TL;DR: 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate (CAS 956411-50-0) is a chemical compound with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
Also Known As: 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate, [2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
| Molecular Formula | C16H21N3O6S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 0.3394 |
| Topological Polar Surface Area | 144.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.1151 |
| Heavy Atoms | 26 |
| Complexity | 774.43463 |
Chemical Identifiers
| CAS Number | 956411-50-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC(=O)NC(=O)N)NS(=O)(=O)/C=C/C1=CC=CC=C1 |
Product Overview
2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate (CAS 956411-50-0), with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol. IUPAC: [2-(carbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate.
Chemical Property Profile of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
Property Insights of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate
The XLogP value of 0.3394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate. The TPSA of 144.66 Ų indicates high polarity, suggesting 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate has 3 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 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The CAS number of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is 956411-50-0.
What is the molecular formula of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The molecular formula of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is C16H21N3O6S.
What is the molecular weight of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
The molecular weight of 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate is 383.12 g/mol.
Where can I buy 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
You can request a quote for 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(carbamoylamino)-2-oxoethyl (2S)-3-methyl-2-(2-phenylethenesulfonamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.