C4HBrF6
TL;DR: C4HBrF6 (CAS 400-41-9) is a chemical compound with molecular formula C4HBrF6 and molecular weight 241.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
Also Known As: C4HBrF6, 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene, 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene, 2-Butene,2-bromo-1,1,1,4,4,4-hexafluoro-, 2-bromo-1,1,1,4,4,4-hexafluoro-but-2-ene
| Molecular Formula | C4HBrF6 |
|---|---|
| Molecular Weight | 241.92 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.91658 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 400-41-9 |
|---|---|
| SMILES | C(=C(C(F)(F)F)Br)C(F)(F)F |
| InChIKey | KSWYRKGFPCBMHX-UHFFFAOYSA-N |
Product Overview
C4HBrF6 (CAS 400-41-9), with molecular formula C4HBrF6 and molecular weight 241.92 g/mol. IUPAC: 2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene.
Chemical Property Profile of C4HBrF6
Property Insights of C4HBrF6
The XLogP value of 3.2 indicates that C4HBrF6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, C4HBrF6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C4HBrF6 has 0 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 C4HBrF6?
The CAS number of C4HBrF6 is 400-41-9.
What is the molecular formula of C4HBrF6?
The molecular formula of C4HBrF6 is C4HBrF6.
What is the molecular weight of C4HBrF6?
The molecular weight of C4HBrF6 is 241.92 g/mol.
Where can I buy C4HBrF6?
You can request a quote for C4HBrF6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C4HBrF6?
Yes, KEHONG BIO provides custom synthesis services for C4HBrF6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.