4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
TL;DR: 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide (CAS 654-62-6) is a chemical compound with molecular formula C7H8F3N3O4S2 and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
Also Known As: 4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide, 2,4-Disulfamyl-5-trifluoromethylaniline, 2pow, 2-amino-4-trifluoromethyl-1,5-benzendisulfonamide, Bendroflumethiazide EP Impurity A
| Molecular Formula | C7H8F3N3O4S2 |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.99084 |
| Heavy Atoms | 19 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 654-62-6 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F |
| InChIKey | KRVABEGPNKGLOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide (CAS 654-62-6), with molecular formula C7H8F3N3O4S2 and molecular weight 318.99 g/mol. IUPAC: 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide.
Chemical Property Profile of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
Property Insights of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
The XLogP value of -0.2 indicates that 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide 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 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide?
The CAS number of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide is 654-62-6.
What is the molecular formula of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide?
The molecular formula of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide is C7H8F3N3O4S2.
What is the molecular weight of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide?
The molecular weight of 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide is 318.99 g/mol.
Where can I buy 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide?
You can request a quote for 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.