苄氟噻嗪
TL;DR: 苄氟噻嗪 (CAS 73-48-3) is a chemical compound with molecular formula C15H14F3N3O4S2 and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄氟噻嗪
3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: BENDROFLUMETHIAZIDE, Bendrofluazide, Naturetin, Aprinox, Benzylrodiuran
| Molecular Formula | C15H14F3N3O4S2 |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.03778 |
| Heavy Atoms | 27 |
| Complexity | 740.0 |
| Melting Point | 222-223 °C |
| Solubility | 108 |
Chemical Identifiers
| CAS Number | 73-48-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2NC3=C(C=C(C(=C3)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N2 |
| InChIKey | HDWIHXWEUNVBIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄氟噻嗪 (CAS 73-48-3), with molecular formula C15H14F3N3O4S2 and molecular weight 421.04 g/mol. IUPAC: 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
Chemical Property Profile of 苄氟噻嗪
Property Insights of 苄氟噻嗪
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄氟噻嗪. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄氟噻嗪. Following Lipinski's Rule of Five, 苄氟噻嗪 has 3 hydrogen bond donor(s) and 10 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 苄氟噻嗪?
The CAS number of 苄氟噻嗪 is 73-48-3.
What is the molecular formula of 苄氟噻嗪?
The molecular formula of 苄氟噻嗪 is C15H14F3N3O4S2.
What is the molecular weight of 苄氟噻嗪?
The molecular weight of 苄氟噻嗪 is 421.04 g/mol.
Where can I buy 苄氟噻嗪?
You can request a quote for 苄氟噻嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄氟噻嗪?
Yes, KEHONG BIO provides custom synthesis services for 苄氟噻嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.