1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate
TL;DR: 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate (CAS 22116-91-2) is a chemical compound with molecular formula C13H6F18O4 and molecular weight 568.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate
Also Known As: Dimethyl perfluoroundecanedioate, Undecanedioic acid, octadecafluoro-, dimethyl ester, Octadecafluoroundecanedioic acid dimethyl ester, 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate, Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate
| Molecular Formula | C13H6F18O4 |
|---|---|
| Molecular Weight | 568.00 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 567.99786 |
| Heavy Atoms | 35 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 22116-91-2 |
|---|---|
| SMILES | COC(=O)C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | TUFWBRCOYJRQOC-UHFFFAOYSA-N |
Product Overview
1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate (CAS 22116-91-2), with molecular formula C13H6F18O4 and molecular weight 568.00 g/mol. IUPAC: dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate.
Chemical Property Profile of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate
Property Insights of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate
The XLogP value of 6.1 indicates that 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate has 0 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate?
The CAS number of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate is 22116-91-2.
What is the molecular formula of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate?
The molecular formula of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate is C13H6F18O4.
What is the molecular weight of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate?
The molecular weight of 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate is 568.00 g/mol.
Where can I buy 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate?
You can request a quote for 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,11-Dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluoroundecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.