阿噻嗪
TL;DR: 阿噻嗪 (CAS 5588-16-9) is a chemical compound with molecular formula C11H14ClN3O4S3 and molecular weight 382.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿噻嗪
6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: althiazide, Altizide, Altizida, Altizidum, Aldactazine
| Molecular Formula | C11H14ClN3O4S3 |
|---|---|
| Molecular Weight | 382.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.9835 |
| Heavy Atoms | 22 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 5588-16-9 |
|---|---|
| SMILES | C=CCSCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl |
| InChIKey | VGLGVJVUHYTIIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿噻嗪 (CAS 5588-16-9), with molecular formula C11H14ClN3O4S3 and molecular weight 382.98 g/mol. IUPAC: 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 阿噻嗪
Property Insights of 阿噻嗪
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿噻嗪. The TPSA of 160.0 Ų indicates high polarity, suggesting 阿噻嗪 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿噻嗪 has 3 hydrogen bond donor(s) and 8 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 阿噻嗪?
The CAS number of 阿噻嗪 is 5588-16-9.
What is the molecular formula of 阿噻嗪?
The molecular formula of 阿噻嗪 is C11H14ClN3O4S3.
What is the molecular weight of 阿噻嗪?
The molecular weight of 阿噻嗪 is 382.98 g/mol.
Where can I buy 阿噻嗪?
You can request a quote for 阿噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 阿噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.