![Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester structure](/static/products/1251/125111-33-3.webp)
Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester
TL;DR: Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester (CAS 125111-33-3) is a chemical compound with molecular formula C16H9F21O4 and molecular weight 664.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)-4-oxobutanoic acid
Also Known As: Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester, 4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)oxy]-4-oxobutanoic acid, 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)-4-oxobutanoic acid, 4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)oxy]-4-oxobutanoic acid #, Butanedioic acid, mono(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) ester
| Molecular Formula | C16H9F21O4 |
|---|---|
| Molecular Weight | 664.02 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 15 |
| Exact Mass | 664.01654 |
| Heavy Atoms | 41 |
| Complexity | 967.0 |
Chemical Identifiers
| CAS Number | 125111-33-3 |
|---|---|
| SMILES | C(CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O |
| InChIKey | DUFAGEJTZPHZLY-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester (CAS 125111-33-3), with molecular formula C16H9F21O4 and molecular weight 664.02 g/mol. IUPAC: 4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)-4-oxobutanoic acid.
Chemical Property Profile of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester
Property Insights of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester
The XLogP value of 7.1 indicates that Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester. Following Lipinski's Rule of Five, Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester has 1 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester?
The CAS number of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester is 125111-33-3.
What is the molecular formula of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester?
The molecular formula of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester is C16H9F21O4.
What is the molecular weight of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester?
The molecular weight of Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester is 664.02 g/mol.
Where can I buy Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester?
You can request a quote for Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono[2-(perfluorodecyl)ethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.