RefChem:482095
TL;DR: RefChem:482095 (CAS 68227-98-5) is a chemical compound with molecular formula C14H14F13NO4S and molecular weight 539.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]butyl prop-2-enoate
Also Known As: 2-Propenoic acid, 4-[methyl[(tridecafluorohexyl)sulfonyl]amino]butyl ester, 4-(((Tridecafluorohexyl)sulfonyl)methylamino)butyl 2-propenoate, 4-{methyl[(tridecafluorohexyl)sulfonyl]amino}butyl acrylate, 4-(Methyl((tridecafluorohexyl)sulphonyl)amino)butyl acrylate, 2-Propenoic acid, 4-(methyl((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)butyl ester
| Molecular Formula | C14H14F13NO4S |
|---|---|
| Molecular Weight | 539.04 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 539.0436 |
| Heavy Atoms | 33 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 68227-98-5 |
|---|---|
| SMILES | CN(CCCCOC(=O)C=C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | JLUHIZCVSXFBEG-UHFFFAOYSA-N |
Product Overview
RefChem:482095 (CAS 68227-98-5), with molecular formula C14H14F13NO4S and molecular weight 539.04 g/mol. IUPAC: 4-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]butyl prop-2-enoate.
Chemical Property Profile of RefChem:482095
Property Insights of RefChem:482095
The XLogP value of 5.3 indicates that RefChem:482095 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:482095. Following Lipinski's Rule of Five, RefChem:482095 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:482095?
The CAS number of RefChem:482095 is 68227-98-5.
What is the molecular formula of RefChem:482095?
The molecular formula of RefChem:482095 is C14H14F13NO4S.
What is the molecular weight of RefChem:482095?
The molecular weight of RefChem:482095 is 539.04 g/mol.
Where can I buy RefChem:482095?
You can request a quote for RefChem:482095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:482095?
Yes, KEHONG BIO provides custom synthesis services for RefChem:482095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.