Ataciguat
TL;DR: Ataciguat (CAS 30804-69-4) is a chemical compound with molecular formula C21H19Cl2N3O6S3 and molecular weight 574.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
Also Known As: Ataciguat, Ataciguat [INN], ataciguatum, Ataciguat?, HMR 1766
| Molecular Formula | C21H19Cl2N3O6S3 |
|---|---|
| Molecular Weight | 574.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.9813 |
| Heavy Atoms | 35 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 30804-69-4 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=C(S4)Cl |
| InChIKey | PQHLRGARXNPFCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ataciguat (CAS 30804-69-4), with molecular formula C21H19Cl2N3O6S3 and molecular weight 574.98 g/mol. IUPAC: 5-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
Chemical Property Profile of Ataciguat
Property Insights of Ataciguat
The XLogP value of 4.2 indicates that Ataciguat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Ataciguat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ataciguat has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ataciguat?
The CAS number of Ataciguat is 30804-69-4.
What is the molecular formula of Ataciguat?
The molecular formula of Ataciguat is C21H19Cl2N3O6S3.
What is the molecular weight of Ataciguat?
The molecular weight of Ataciguat is 574.98 g/mol.
Where can I buy Ataciguat?
You can request a quote for Ataciguat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ataciguat?
Yes, KEHONG BIO provides custom synthesis services for Ataciguat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.