Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-
TL;DR: Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- (CAS 68516-48-3) is a chemical compound with molecular formula C12H15NO8S2 and molecular weight 365.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate
Also Known As: Butanamide, 3-oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-, Butanamide, N-(4-((2-sulfooxyethyl)sulfonyl)phenyl)-3-oxo-, Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-, 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate, 3-Oxo-N-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]butanamide
| Molecular Formula | C12H15NO8S2 |
|---|---|
| Molecular Weight | 365.02 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.0239 |
| Heavy Atoms | 23 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 68516-48-3 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | MEFNHSZVQXGNFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- (CAS 68516-48-3), with molecular formula C12H15NO8S2 and molecular weight 365.02 g/mol. IUPAC: 2-[4-(3-oxobutanoylamino)phenyl]sulfonylethyl hydrogen sulfate.
Chemical Property Profile of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-
Property Insights of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-
The XLogP value of -0.3 indicates that Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- 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 Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-?
The CAS number of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- is 68516-48-3.
What is the molecular formula of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-?
The molecular formula of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- is C12H15NO8S2.
What is the molecular weight of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-?
The molecular weight of Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- is 365.02 g/mol.
Where can I buy Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-?
You can request a quote for Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butanamide, 3-oxo-N-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.