Einecs 273-236-7
TL;DR: Einecs 273-236-7 (CAS 68954-01-8) is a chemical compound with molecular formula C28H33Cl3F6O11 and molecular weight 764.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-2-(4,4,5,5,6,6-hexafluorononoxy)propoxy]carbonyl-2,4-bis[(3-chloro-2-hydroxypropoxy)carbonyl]benzoic acid
Also Known As: Mixed 3-chloro-2-hydroxypropyl and gamma-omega-perfluoro-C8-14-alkyl pyromellitates, Mixed 3-chloro-2-hydroxypropyl and .gamma.-.omega.-perfluoro-C8-14-alkyl pyromellitates, 1,2,4,5-Benzenetetracarboxylic acid, mixed 3-chloro-2-hydroxypropyl and .gamma.-.omega.-perfluoro-C8-14-alkyl esters, 1,2,4,5-Benzenetetracarboxylic acid, mixed 3-chloro-2-hydroxypropyl and gamma-??-perfluoro-C8-14-alkyl esters, 1,2,4,5-Benzenetetracarboxylic acid, mixed 3-chloro-2-hydroxypropyl and gamma-mu-perfluoro-C8-14-alkyl esters
| Molecular Formula | C28H33Cl3F6O11 |
|---|---|
| Molecular Weight | 764.10 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 25 |
| Exact Mass | 764.09924 |
| Heavy Atoms | 48 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 68954-01-8 |
|---|---|
| SMILES | CCCC(C(C(CCCOC(COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)OCC(CCl)O)C(=O)OCC(CCl)O)CCl)(F)F)(F)F)(F)F |
| InChIKey | KVXVLCBFSKMBAR-UHFFFAOYSA-N |
Product Overview
Einecs 273-236-7 (CAS 68954-01-8), with molecular formula C28H33Cl3F6O11 and molecular weight 764.10 g/mol. IUPAC: 5-[3-chloro-2-(4,4,5,5,6,6-hexafluorononoxy)propoxy]carbonyl-2,4-bis[(3-chloro-2-hydroxypropoxy)carbonyl]benzoic acid.
Chemical Property Profile of Einecs 273-236-7
Property Insights of Einecs 273-236-7
The XLogP value of 5.4 indicates that Einecs 273-236-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Einecs 273-236-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 273-236-7 has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 273-236-7?
The CAS number of Einecs 273-236-7 is 68954-01-8.
What is the molecular formula of Einecs 273-236-7?
The molecular formula of Einecs 273-236-7 is C28H33Cl3F6O11.
What is the molecular weight of Einecs 273-236-7?
The molecular weight of Einecs 273-236-7 is 764.10 g/mol.
Where can I buy Einecs 273-236-7?
You can request a quote for Einecs 273-236-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 273-236-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 273-236-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.