氯噻嗪
TL;DR: 氯噻嗪 (CAS 58-94-6) is a chemical compound with molecular formula C7H6ClN3O4S2 and molecular weight 294.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯噻嗪
6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: chlorothiazide, Diuril, Chlorthiazide, Chlorothiazid, Chlotride
| Molecular Formula | C7H6ClN3O4S2 |
|---|---|
| Molecular Weight | 294.95 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.94882 |
| Heavy Atoms | 17 |
| Complexity | 532.0 |
| Melting Point | 648 to 342.8 °C (Decomposes) |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 58-94-6 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 |
| InChIKey | JBMKAUGHUNFTOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯噻嗪 (CAS 58-94-6), with molecular formula C7H6ClN3O4S2 and molecular weight 294.95 g/mol. IUPAC: 6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 氯噻嗪
Property Insights of 氯噻嗪
The XLogP value of -0.2 indicates that 氯噻嗪 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯噻嗪. Following Lipinski's Rule of Five, 氯噻嗪 has 2 hydrogen bond donor(s) and 6 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 氯噻嗪?
The CAS number of 氯噻嗪 is 58-94-6.
What is the molecular formula of 氯噻嗪?
The molecular formula of 氯噻嗪 is C7H6ClN3O4S2.
What is the molecular weight of 氯噻嗪?
The molecular weight of 氯噻嗪 is 294.95 g/mol.
Where can I buy 氯噻嗪?
You can request a quote for 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 氯噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 氯噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.