EINECS 298-040-9
TL;DR: EINECS 298-040-9 (CAS 93777-12-9) is a chemical compound with molecular formula C22H23F23N2O3 and molecular weight 800.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]amino]propyl-dimethylazaniumyl]propanoate
Also Known As: EINECS 298-040-9, (2-Carboxylatoethyl)(3-((2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecyl)amino)propyl)dimethylammonium, (2-Carboxylatoethyl)-3-((perfluoro-9-methyldecyl)-2-hydroxypropyl)aminopropyldimethylammonium, (2-carboxylatoethyl)[3-[[2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecyl]amino]propyl]dimethylammonium, 3-[(3-{[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-Icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]amino}propyl)di(methyl)azaniumyl]propanoate
| Molecular Formula | C22H23F23N2O3 |
|---|---|
| Molecular Weight | 800.13 g/mol |
| LogP | 5.8488 |
| Topological Polar Surface Area | 72.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 800.13416 |
| Heavy Atoms | 50 |
| Complexity | 1150.9495 |
Chemical Identifiers
| CAS Number | 93777-12-9 |
|---|---|
| SMILES | C[N+](C)(CCCNCC(CC(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)O)CCC(=O)[O-] |
Product Overview
EINECS 298-040-9 (CAS 93777-12-9), with molecular formula C22H23F23N2O3 and molecular weight 800.13 g/mol. IUPAC: 3-[3-[[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]amino]propyl-dimethylazaniumyl]propanoate.
Chemical Property Profile of EINECS 298-040-9
Property Insights of EINECS 298-040-9
The XLogP value of 5.8488 indicates that EINECS 298-040-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.39 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 298-040-9. Following Lipinski's Rule of Five, EINECS 298-040-9 has 2 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 298-040-9?
The CAS number of EINECS 298-040-9 is 93777-12-9.
What is the molecular formula of EINECS 298-040-9?
The molecular formula of EINECS 298-040-9 is C22H23F23N2O3.
What is the molecular weight of EINECS 298-040-9?
The molecular weight of EINECS 298-040-9 is 800.13 g/mol.
Where can I buy EINECS 298-040-9?
You can request a quote for EINECS 298-040-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-040-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-040-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.