2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
TL;DR: 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline (CAS 100280-23-7) is a chemical compound with molecular formula C8H6BrF4NS and molecular weight 302.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
Also Known As: 2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline, 3-chloro-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]aniline, Benzenamine, 2-bromo-4-[(1,1,2,2-tetrafluoroethyl)thio]-, 2-BROMO-4-[(1,1,2,2-TETRAFLUOROETHYL)SULFANYL]ANILINE
| Molecular Formula | C8H6BrF4NS |
|---|---|
| Molecular Weight | 302.93 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.93405 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 100280-23-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC(C(F)F)(F)F)Br)N |
| InChIKey | SKPUOMSGEGBTPC-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline (CAS 100280-23-7), with molecular formula C8H6BrF4NS and molecular weight 302.93 g/mol. IUPAC: 2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline.
Chemical Property Profile of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
Property Insights of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline
The XLogP value of 4.1 indicates that 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline has 1 hydrogen bond donor(s) and 6 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-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The CAS number of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 100280-23-7.
What is the molecular formula of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The molecular formula of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is C8H6BrF4NS.
What is the molecular weight of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
The molecular weight of 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline is 302.93 g/mol.
Where can I buy 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
You can request a quote for 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.