Esmalorid
TL;DR: Esmalorid (CAS 138258-83-0) is a chemical compound with molecular formula C14H16Cl4N10O5S2 and molecular weight 607.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Also Known As: Esmalorid, Esmaloride, Amiloride mixture with Trichlormethiazide, 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1, Pyrazinecarboxamide, 3,5-diamino-N-(aminominomethyl)-6-chloro-, mixt. with 6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
| Molecular Formula | C14H16Cl4N10O5S2 |
|---|---|
| Molecular Weight | 607.95 g/mol |
| LogP | -0.471 |
| Topological Polar Surface Area | 277.65 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 607.9501 |
| Heavy Atoms | 35 |
| Complexity | 1414.9951 |
Chemical Identifiers
| CAS Number | 138258-83-0 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl.C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N |
Product Overview
Esmalorid (CAS 138258-83-0), with molecular formula C14H16Cl4N10O5S2 and molecular weight 607.95 g/mol. IUPAC: 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide;3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.
Chemical Property Profile of Esmalorid
Property Insights of Esmalorid
The XLogP value of -0.471 indicates that Esmalorid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.65 Ų indicates high polarity, suggesting Esmalorid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esmalorid has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Esmalorid?
The CAS number of Esmalorid is 138258-83-0.
What is the molecular formula of Esmalorid?
The molecular formula of Esmalorid is C14H16Cl4N10O5S2.
What is the molecular weight of Esmalorid?
The molecular weight of Esmalorid is 607.95 g/mol.
Where can I buy Esmalorid?
You can request a quote for Esmalorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esmalorid?
Yes, KEHONG BIO provides custom synthesis services for Esmalorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.