1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate
TL;DR: 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate (CAS 80279-68-1) is a chemical compound with molecular formula C9H5Br2F6NO3S and molecular weight 478.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-3,5-dibromobenzenesulfonate
Also Known As: 1,1,1,3,3,3-HEXAFLUOROISOPROPYL 4-AMINO-3,5-DIBROMOBENZENESULFONATE, 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-3,5-dibromobenzenesulfonate, 2,6-dibromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)aniline, 659-539-0, RefChem:409386
| Molecular Formula | C9H5Br2F6NO3S |
|---|---|
| Molecular Weight | 478.83 g/mol |
| LogP | 3.9923 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.8261 |
| Heavy Atoms | 22 |
| Complexity | 635.90497 |
Chemical Identifiers
| CAS Number | 80279-68-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F |
Product Overview
1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate (CAS 80279-68-1), with molecular formula C9H5Br2F6NO3S and molecular weight 478.83 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-amino-3,5-dibromobenzenesulfonate.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate
Property Insights of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate
The XLogP value of 3.9923 indicates that 1,1,1,3,3,3-Hexafluoroisopropyl 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 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoroisopropyl 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 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate?
The CAS number of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate is 80279-68-1.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate?
The molecular formula of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate is C9H5Br2F6NO3S.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate?
The molecular weight of 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate is 478.83 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate?
You can request a quote for 1,1,1,3,3,3-Hexafluoroisopropyl 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 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoroisopropyl 4-amino-3,5-dibromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.