![[1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride structure](/static/products/102/1029092-52-1.png)
[1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride
TL;DR: [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride (CAS 1029092-52-1) is a chemical compound with molecular formula C11H11Cl2NO4S and molecular weight 322.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride
Also Known As: [1-carboxy-2-(5-chloro-1,1-dioxo-benzothiophen-3-yl)ethyl]azanium Chloride|[1-carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium;chloride|[3-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)-1-hydroxy-1-oxopropan-2-yl]azanium chloride
| Molecular Formula | C11H11Cl2NO4S |
|---|---|
| Molecular Weight | 322.98 g/mol |
| LogP | -2.4426 |
| Topological Polar Surface Area | 99.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.97858 |
| Heavy Atoms | 19 |
| Complexity | 654.65906 |
Chemical Identifiers
| CAS Number | 1029092-52-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CS2(=O)=O)CC(C(=O)O)[NH3+].[Cl-] |
Product Overview
[1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride (CAS 1029092-52-1), with molecular formula C11H11Cl2NO4S and molecular weight 322.98 g/mol. IUPAC: [1-carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride.
Chemical Property Profile of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride
Property Insights of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride
The XLogP value of -2.4426 indicates that [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride. Following Lipinski's Rule of Five, [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride has 2 hydrogen bond donor(s) and 3 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 [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride?
The CAS number of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride is 1029092-52-1.
What is the molecular formula of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride?
The molecular formula of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride is C11H11Cl2NO4S.
What is the molecular weight of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride?
The molecular weight of [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride is 322.98 g/mol.
Where can I buy [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride?
You can request a quote for [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for [1-Carboxy-2-(5-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethyl]azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.