EINECS 274-826-7
TL;DR: EINECS 274-826-7 (CAS 70729-63-4) is a chemical compound with molecular formula C28H32F19NO4S and molecular weight 839.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutylbutan-1-amine;4-[(E)-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]oxybenzenesulfonic acid
Also Known As: EINECS 274-826-7, 4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)benzenesulfonic acid, tributylammonium salt, Benzenesulfonic acid, 4-((4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)-, compd. with N,N-dibutyl-1-butanamine (1:1), Benzenesulfonic acid, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-, compd. with N,N-dibutyl-1-butanamine (1:1), 4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl)oxy)benzenesulphonic acid, compound with tributylamine (1:1)
| Molecular Formula | C28H32F19NO4S |
|---|---|
| Molecular Weight | 839.17 g/mol |
| LogP | 11.3234 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 839.17487 |
| Heavy Atoms | 53 |
| Complexity | 1381.6844 |
Chemical Identifiers
| CAS Number | 70729-63-4 |
|---|---|
| SMILES | CCCCN(CCCC)CCCC.C1=CC(=CC=C1O/C(=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)O |
Product Overview
EINECS 274-826-7 (CAS 70729-63-4), with molecular formula C28H32F19NO4S and molecular weight 839.17 g/mol. IUPAC: N,N-dibutylbutan-1-amine;4-[(E)-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]oxybenzenesulfonic acid.
Chemical Property Profile of EINECS 274-826-7
Property Insights of EINECS 274-826-7
The XLogP value of 11.3234 indicates that EINECS 274-826-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 274-826-7. Following Lipinski's Rule of Five, EINECS 274-826-7 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-826-7?
The CAS number of EINECS 274-826-7 is 70729-63-4.
What is the molecular formula of EINECS 274-826-7?
The molecular formula of EINECS 274-826-7 is C28H32F19NO4S.
What is the molecular weight of EINECS 274-826-7?
The molecular weight of EINECS 274-826-7 is 839.17 g/mol.
Where can I buy EINECS 274-826-7?
You can request a quote for EINECS 274-826-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-826-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-826-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.