2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate
TL;DR: 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate (CAS 200876-80-8) is a chemical compound with molecular formula C8H6Br2F3NO3S and molecular weight 410.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate
Also Known As: 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate, 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzene-1-sulphonate, 2,6-dibromo-4-(2,2,2-trifluoroethoxysulfonyl)aniline, 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzene-1-sulfonate, 2,2,2-TRIFLUOROETHYL4-AMINO-3,5-DIBROMOBENZENE-1-SULFONATE
| Molecular Formula | C8H6Br2F3NO3S |
|---|---|
| Molecular Weight | 410.84 g/mol |
| LogP | 3.0614 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.8387 |
| Heavy Atoms | 18 |
| Complexity | 536.191 |
Chemical Identifiers
| CAS Number | 200876-80-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate (CAS 200876-80-8), with molecular formula C8H6Br2F3NO3S and molecular weight 410.84 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate
Property Insights of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate
The XLogP value of 3.0614 indicates that 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate has 1 hydrogen bond donor(s) and 4 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 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate?
The CAS number of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate is 200876-80-8.
What is the molecular formula of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate?
The molecular formula of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate is C8H6Br2F3NO3S.
What is the molecular weight of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate?
The molecular weight of 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate is 410.84 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate?
You can request a quote for 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 4-amino-3,5-dibromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.