![2-[methyl[ sulphonyl]amino]ethylacrylate structure](/static/products/5448/5448-96-4.webp)
2-[methyl[ sulphonyl]amino]ethylacrylate
TL;DR: 2-[methyl[ sulphonyl]amino]ethylacrylate (CAS 5448-96-4) 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.
2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate
Also Known As: 2-[methyl[ sulphonyl]amino]ethylacrylate, 2-Propenoic acid, 2-[methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]ethyl ester, 2-[Methyl[(perfluorohexyl)ethylsulfonyl]amino]ethyl 2-propenoate, 2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate, 2-{methyl[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}ethyl acrylate
| Molecular Formula | C14H14F13NO4S |
|---|---|
| Molecular Weight | 539.04 g/mol |
| LogP | 4.8 |
| 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 | 5448-96-4 |
|---|---|
| SMILES | CN(CCOC(=O)C=C)S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | HATNGDPVYXXGKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[methyl[ sulphonyl]amino]ethylacrylate (CAS 5448-96-4), with molecular formula C14H14F13NO4S and molecular weight 539.04 g/mol. IUPAC: 2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate.
Chemical Property Profile of 2-[methyl[ sulphonyl]amino]ethylacrylate
Property Insights of 2-[methyl[ sulphonyl]amino]ethylacrylate
The XLogP value of 4.8 indicates that 2-[methyl[ sulphonyl]amino]ethylacrylate 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 2-[methyl[ sulphonyl]amino]ethylacrylate. Following Lipinski's Rule of Five, 2-[methyl[ sulphonyl]amino]ethylacrylate 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 2-[methyl[ sulphonyl]amino]ethylacrylate?
The CAS number of 2-[methyl[ sulphonyl]amino]ethylacrylate is 5448-96-4.
What is the molecular formula of 2-[methyl[ sulphonyl]amino]ethylacrylate?
The molecular formula of 2-[methyl[ sulphonyl]amino]ethylacrylate is C14H14F13NO4S.
What is the molecular weight of 2-[methyl[ sulphonyl]amino]ethylacrylate?
The molecular weight of 2-[methyl[ sulphonyl]amino]ethylacrylate is 539.04 g/mol.
Where can I buy 2-[methyl[ sulphonyl]amino]ethylacrylate?
You can request a quote for 2-[methyl[ sulphonyl]amino]ethylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[methyl[ sulphonyl]amino]ethylacrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[methyl[ sulphonyl]amino]ethylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.