Hydrobentizide
TL;DR: Hydrobentizide (CAS 13957-38-5) is a chemical compound with molecular formula C15H16ClN3O4S3 and molecular weight 432.99915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
Also Known As: Hydrobentizide, Aquazid, Hydrobentizidum, Hidrobentizida, Hydrobenzthiazide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H16ClN3O4S3 |
| Molecular Weight | 432.99915 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.99915 Da |
| Heavy Atoms | 26 |
| Complexity | 686.0 |
| SMILES | C1=CC=C(C=C1)CSCC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl |
| InChIKey | ZUNJWRJEKCRIMZ-UHFFFAOYSA-N |
Chemical Property Profile of Hydrobentizide
Property Insights of Hydrobentizide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrobentizide. The TPSA of 160.0 Ų indicates high polarity, suggesting Hydrobentizide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrobentizide 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
What is the CAS number of Hydrobentizide?
The CAS number of Hydrobentizide is 13957-38-5.
What is the molecular formula of Hydrobentizide?
The molecular formula of Hydrobentizide is C15H16ClN3O4S3.
What is the molecular weight of Hydrobentizide?
The molecular weight of Hydrobentizide is 432.99915 g/mol.
Where can I buy Hydrobentizide?
You can request a quote for Hydrobentizide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydrobentizide?
Yes, CoreyChem provides custom synthesis services for Hydrobentizide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.