Moduretic
TL;DR: Moduretic (CAS 57017-78-4) is a chemical compound with molecular formula C13H17Cl3N10O5S2 and molecular weight 561.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
Also Known As: Moduretic, Amilco, Hypertane, Ameride, Amitrid
| Molecular Formula | C13H17Cl3N10O5S2 |
|---|---|
| Molecular Weight | 561.99 g/mol |
| LogP | -1.2215 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 561.989 |
| Heavy Atoms | 33 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 57017-78-4 |
|---|---|
| SMILES | C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl |
| InChIKey | QRDAGKVHMGNVHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Moduretic (CAS 57017-78-4), with molecular formula C13H17Cl3N10O5S2 and molecular weight 561.99 g/mol. IUPAC: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride.
Chemical Property Profile of Moduretic
Property Insights of Moduretic
The XLogP value of -1.2215 indicates that Moduretic is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting Moduretic may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Moduretic has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Moduretic?
The CAS number of Moduretic is 57017-78-4.
What is the molecular formula of Moduretic?
The molecular formula of Moduretic is C13H17Cl3N10O5S2.
What is the molecular weight of Moduretic?
The molecular weight of Moduretic is 561.99 g/mol.
Where can I buy Moduretic?
You can request a quote for Moduretic directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Moduretic?
Yes, KEHONG BIO provides custom synthesis services for Moduretic and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.