三氯噻嗪
TL;DR: 三氯噻嗪 (CAS 133-67-5) is a chemical compound with molecular formula C8H8Cl3N3O4S2 and molecular weight 378.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯噻嗪
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: trichlormethiazide, Trichloromethiazide, Naqua, Metahydrin, Trichlormetazid
| Molecular Formula | C8H8Cl3N3O4S2 |
|---|---|
| Molecular Weight | 378.90 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.9022 |
| Heavy Atoms | 20 |
| Complexity | 571.0 |
| Melting Point | 270 |
| Solubility | 800 |
Chemical Identifiers
| CAS Number | 133-67-5 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl |
| InChIKey | LMJSLTNSBFUCMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯噻嗪 (CAS 133-67-5), with molecular formula C8H8Cl3N3O4S2 and molecular weight 378.90 g/mol. IUPAC: 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 三氯噻嗪
Property Insights of 三氯噻嗪
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯噻嗪. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氯噻嗪. Following Lipinski's Rule of Five, 三氯噻嗪 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 三氯噻嗪?
The CAS number of 三氯噻嗪 is 133-67-5.
What is the molecular formula of 三氯噻嗪?
The molecular formula of 三氯噻嗪 is C8H8Cl3N3O4S2.
What is the molecular weight of 三氯噻嗪?
The molecular weight of 三氯噻嗪 is 378.90 g/mol.
Where can I buy 三氯噻嗪?
You can request a quote for 三氯噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 三氯噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.