3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid
TL;DR: 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid (CAS 1513-44-6) is a chemical compound with molecular formula C7H6F3NO3S and molecular weight 241.00204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(trifluoromethyl)benzenesulfonic acid
Also Known As: 2-amino-4-(trifluoromethyl)benzenesulfonic acid, 2-amino-4-(trifluoromethyl)benzene-1-sulfonic acid, 2-amino-4-trifluoromethyl-benzenesulfonic acid, 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid, Benzenesulfonic acid, 2-amino-4-(trifluoromethyl)-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6F3NO3S |
| Molecular Weight | 241.00204 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.00204 Da |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)S(=O)(=O)O |
| InChIKey | LHIOGENQCVAALC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid
Property Insights of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid. Following Lipinski's Rule of Five, 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid 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
What is the CAS number of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid?
The CAS number of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid is 1513-44-6.
What is the molecular formula of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid?
The molecular formula of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid is C7H6F3NO3S.
What is the molecular weight of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid?
The molecular weight of 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid is 241.00204 g/mol.
Where can I buy 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid?
You can request a quote for 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid?
Yes, CoreyChem provides custom synthesis services for 3-Amino-alpha,alpha,alpha-trifluorotoluene-4-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.