环噻嗪
TL;DR: 环噻嗪 (CAS 2259-96-3) is a chemical compound with molecular formula C14H16ClN3O4S2 and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环噻嗪
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: cyclothiazide, Anhydron, Aquirel, Fluidil, Renazide
| Molecular Formula | C14H16ClN3O4S2 |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.02707 |
| Heavy Atoms | 24 |
| Complexity | 758.0 |
| Melting Point | 229-230 |
| Solubility | FREELY SOL IN ACETONE, ETHYL ACETATE, METHANOL; SPARINGLY SOL IN ALC; PRACTICALLY INSOL IN WATER; PRACTICALLY INSOL IN CHLOROFORM, ETHER |
Chemical Identifiers
| CAS Number | 2259-96-3 |
|---|---|
| SMILES | C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)Cl |
| InChIKey | BOCUKUHCLICSIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环噻嗪 (CAS 2259-96-3), with molecular formula C14H16ClN3O4S2 and molecular weight 389.03 g/mol. IUPAC: 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 环噻嗪
Property Insights of 环噻嗪
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环噻嗪. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 环噻嗪. Following Lipinski's Rule of Five, 环噻嗪 has 3 hydrogen bond donor(s) and 7 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 环噻嗪?
The CAS number of 环噻嗪 is 2259-96-3.
What is the molecular formula of 环噻嗪?
The molecular formula of 环噻嗪 is C14H16ClN3O4S2.
What is the molecular weight of 环噻嗪?
The molecular weight of 环噻嗪 is 389.03 g/mol.
Where can I buy 环噻嗪?
You can request a quote for 环噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 环噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.