RefChem:565045
TL;DR: RefChem:565045 (CAS 51947-19-4) is a chemical compound with molecular formula C16H4ClF19O3S and molecular weight 671.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonyl chloride
Also Known As: Benzenesulfonyl chloride, 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-, 4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)benzenesulfonyl chloride, Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-, Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)-, 4-(Perfluoro(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy)benzene-1-sulfonyl chloride
| Molecular Formula | C16H4ClF19O3S |
|---|---|
| Molecular Weight | 671.93 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 6 |
| Exact Mass | 671.92664 |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 51947-19-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)S(=O)(=O)Cl |
| InChIKey | VOEFEIDNANPLSQ-UHFFFAOYSA-N |
Product Overview
RefChem:565045 (CAS 51947-19-4), with molecular formula C16H4ClF19O3S and molecular weight 671.93 g/mol. IUPAC: 4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonyl chloride.
Chemical Property Profile of RefChem:565045
Property Insights of RefChem:565045
The XLogP value of 9.1 indicates that RefChem:565045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, RefChem:565045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:565045 has 0 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565045?
The CAS number of RefChem:565045 is 51947-19-4.
What is the molecular formula of RefChem:565045?
The molecular formula of RefChem:565045 is C16H4ClF19O3S.
What is the molecular weight of RefChem:565045?
The molecular weight of RefChem:565045 is 671.93 g/mol.
Where can I buy RefChem:565045?
You can request a quote for RefChem:565045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565045?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.