Einecs 222-905-1
TL;DR: Einecs 222-905-1 (CAS 3658-57-9) is a chemical compound with molecular formula C9H4ClF16NO2 and molecular weight 496.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;7-[chloro(difluoro)methyl]-2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluorooctanoic acid
Also Known As: C9HClF16O2.H3N, Ammonium 8-chlorohexadecafluoro-7-methyloctanoate, 8-chloro-2,2,3,3,4,4,5,5,6,6,7,8,8-tridecafluoro-7-(trifluoromethyl)octanoic acid ammoniate(1:1), 7-[Chlorodi(fluoro)methyl]-2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluorooctanoic acid--ammonia (1/1), azane; 7-[chloro(difluoro)methyl]-2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluorooctanoic acid
| Molecular Formula | C9H4ClF16NO2 |
|---|---|
| Molecular Weight | 496.97 g/mol |
| LogP | 5.51 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.9675 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 3658-57-9 |
|---|---|
| SMILES | C(=O)(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)Cl)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N |
| InChIKey | PMSOLKLHKDPYPN-UHFFFAOYSA-N |
Product Overview
Einecs 222-905-1 (CAS 3658-57-9), with molecular formula C9H4ClF16NO2 and molecular weight 496.97 g/mol. IUPAC: azane;7-[chloro(difluoro)methyl]-2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluorooctanoic acid.
Chemical Property Profile of Einecs 222-905-1
Property Insights of Einecs 222-905-1
The XLogP value of 5.51 indicates that Einecs 222-905-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Einecs 222-905-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 222-905-1 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 222-905-1?
The CAS number of Einecs 222-905-1 is 3658-57-9.
What is the molecular formula of Einecs 222-905-1?
The molecular formula of Einecs 222-905-1 is C9H4ClF16NO2.
What is the molecular weight of Einecs 222-905-1?
The molecular weight of Einecs 222-905-1 is 496.97 g/mol.
Where can I buy Einecs 222-905-1?
You can request a quote for Einecs 222-905-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 222-905-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 222-905-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.