苄噻嗪
TL;DR: 苄噻嗪 (CAS 91-33-8) is a chemical compound with molecular formula C15H14ClN3O4S3 and molecular weight 430.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄噻嗪
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: benzthiazide, Benzothiazide, Aquatag, Fovane, Exna
| Molecular Formula | C15H14ClN3O4S3 |
|---|---|
| Molecular Weight | 430.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.9835 |
| Heavy Atoms | 26 |
| Complexity | 739.0 |
| Melting Point | 210-211 |
| Solubility | 8.91 |
Chemical Identifiers
| CAS Number | 91-33-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N |
| InChIKey | NDTSRXAMMQDVSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄噻嗪 (CAS 91-33-8), with molecular formula C15H14ClN3O4S3 and molecular weight 430.98 g/mol. IUPAC: 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 苄噻嗪
Property Insights of 苄噻嗪
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄噻嗪. The TPSA of 161.0 Ų indicates high polarity, suggesting 苄噻嗪 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苄噻嗪 has 2 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 苄噻嗪?
The CAS number of 苄噻嗪 is 91-33-8.
What is the molecular formula of 苄噻嗪?
The molecular formula of 苄噻嗪 is C15H14ClN3O4S3.
What is the molecular weight of 苄噻嗪?
The molecular weight of 苄噻嗪 is 430.98 g/mol.
Where can I buy 苄噻嗪?
You can request a quote for 苄噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 苄噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.