(E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid (CAS 392673-38-0) is a chemical compound with molecular formula C9H13NO5S and molecular weight 247.05 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)-methylamino]-4-oxobut-2-enoic acid
Also Known As: 3-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]prop-2-enoic Acid, (E)-4-[(1,1-dioxothiolan-3-yl)-methylamino]-4-oxobut-2-enoic acid, (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C9H13NO5S |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | -0.7273 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.05144 |
| Heavy Atoms | 16 |
| Complexity | 425.1803 |
Chemical Identifiers
| CAS Number | 392673-38-0 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)/C=C/C(=O)O |
Product Overview
(E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid (CAS 392673-38-0), with molecular formula C9H13NO5S and molecular weight 247.05 g/mol. IUPAC: (E)-4-[(1,1-dioxothiolan-3-yl)-methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid
Property Insights of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid
The XLogP value of -0.7273 indicates that (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid has 1 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 (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid is 392673-38-0.
What is the molecular formula of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid is C9H13NO5S.
What is the molecular weight of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid is 247.05 g/mol.
Where can I buy (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)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 (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((1,1-dioxidotetrahydrothiophen-3-yl)(methyl)amino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.