RefChem:663840
TL;DR: RefChem:663840 (CAS 68957-53-9) is a chemical compound with molecular formula C12H12F13NO4S and molecular weight 513.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetate
Also Known As: Ethyl N-ethyl-N-((tridecafluorohexyl)sulfonyl)glycinate, Glycine, N-ethyl-N-[(tridecafluorohexyl)sulfonyl]-, ethyl ester, Ethyl N-ethyl-N-((tridecafluorohexyl)sulphonyl)glycinate, Glycine, N-ethyl-N-((tridecafluorohexyl)sulfonyl)-, ethyl ester, Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-, ethyl ester
| Molecular Formula | C12H12F13NO4S |
|---|---|
| Molecular Weight | 513.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 513.02795 |
| Heavy Atoms | 31 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 68957-53-9 |
|---|---|
| SMILES | CCN(CC(=O)OCC)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | CTKLJYAZSQZYAO-UHFFFAOYSA-N |
Product Overview
RefChem:663840 (CAS 68957-53-9), with molecular formula C12H12F13NO4S and molecular weight 513.03 g/mol. IUPAC: ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetate.
Chemical Property Profile of RefChem:663840
Property Insights of RefChem:663840
The XLogP value of 4.7 indicates that RefChem:663840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:663840. Following Lipinski's Rule of Five, RefChem:663840 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:663840?
The CAS number of RefChem:663840 is 68957-53-9.
What is the molecular formula of RefChem:663840?
The molecular formula of RefChem:663840 is C12H12F13NO4S.
What is the molecular weight of RefChem:663840?
The molecular weight of RefChem:663840 is 513.03 g/mol.
Where can I buy RefChem:663840?
You can request a quote for RefChem:663840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:663840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:663840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.