Hydrobentizide
TL;DR: Hydrobentizide (CAS 13957-38-5) is a chemical compound with molecular formula C15H16ClN3O4S3 and molecular weight 433.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C15H16ClN3O4S3 |
|---|---|
| Molecular Weight | 433.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.99915 |
| Heavy Atoms | 26 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 13957-38-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl |
| InChIKey | ZUNJWRJEKCRIMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydrobentizide (CAS 13957-38-5), with molecular formula C15H16ClN3O4S3 and molecular weight 433.00 g/mol. IUPAC: 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
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
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 433.00 g/mol.
Where can I buy Hydrobentizide?
You can request a quote for Hydrobentizide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrobentizide?
Yes, KEHONG BIO provides custom synthesis services for Hydrobentizide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.