![(2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/116/1164557-53-2.png)
(2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid (CAS 1164557-53-2) is a chemical compound with molecular formula C8H11NO5S and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1,1-dioxothiolan-3-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 3-[(1,1-dioxothiolan-3-yl)carbamoyl]prop-2-enoic Acid, (E)-4-[(1,1-dioxothiolan-3-yl)amino]-4-oxobut-2-enoic acid, (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid, (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-4-oxobut-2-enoic acid, (E)-3-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylcarbamoyl)-acrylic acid
| Molecular Formula | C8H11NO5S |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | -1.0695 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0358 |
| Heavy Atoms | 15 |
| Complexity | 397.2551 |
Chemical Identifiers
| CAS Number | 1164557-53-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid (CAS 1164557-53-2), with molecular formula C8H11NO5S and molecular weight 233.04 g/mol. IUPAC: (E)-4-[(1,1-dioxothiolan-3-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of -1.0695 indicates that (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 4 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 (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid is 1164557-53-2.
What is the molecular formula of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid is C8H11NO5S.
What is the molecular weight of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid is 233.04 g/mol.
Where can I buy (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.