EINECS 258-917-9
TL;DR: EINECS 258-917-9 (CAS 54009-77-7) is a chemical compound with molecular formula C18H5F31O and molecular weight 825.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane
Also Known As: KST-1A5984, (1H,1H-Perfluoro-14-methylpentadecyl)oxirane, (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-Octacosafluoro-14-(trifluoromethyl)pentadecyl)oxirane, 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane, [2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-Octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane
| Molecular Formula | C18H5F31O |
|---|---|
| Molecular Weight | 825.98 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 14 |
| Exact Mass | 825.98456 |
| Heavy Atoms | 50 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 54009-77-7 |
|---|---|
| SMILES | C1C(O1)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | FPGGDOYJDKTVNV-UHFFFAOYSA-N |
Product Overview
EINECS 258-917-9 (CAS 54009-77-7), with molecular formula C18H5F31O and molecular weight 825.98 g/mol. IUPAC: 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-octacosafluoro-14-(trifluoromethyl)pentadecyl]oxirane.
Chemical Property Profile of EINECS 258-917-9
Property Insights of EINECS 258-917-9
The XLogP value of 10.8 indicates that EINECS 258-917-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, EINECS 258-917-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 258-917-9 has 0 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-917-9?
The CAS number of EINECS 258-917-9 is 54009-77-7.
What is the molecular formula of EINECS 258-917-9?
The molecular formula of EINECS 258-917-9 is C18H5F31O.
What is the molecular weight of EINECS 258-917-9?
The molecular weight of EINECS 258-917-9 is 825.98 g/mol.
Where can I buy EINECS 258-917-9?
You can request a quote for EINECS 258-917-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-917-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-917-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.