Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
TL;DR: Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate (CAS 428873-88-5) is a chemical compound with molecular formula C9H8F4N2O2S and molecular weight 284.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[(E)-2-amino-1-cyanoprop-1-enyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Also Known As: Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate, (E)-methyl 3-(((E)-2-amino-1-cyanoprop-1-en-1-yl)thio)-3-fluoro-2-(trifluoromethyl)acrylate, methyl (2E)-3-{[(1E)-2-amino-1-cyanoprop-1-en-1-yl]sulfanyl}-3-fluoro-2-(trifluoromethyl)prop-2-enoate, methyl (E)-3-[(E)-2-amino-1-cyanoprop-1-enyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
| Molecular Formula | C9H8F4N2O2S |
|---|---|
| Molecular Weight | 284.02 g/mol |
| LogP | 2.34978 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.02426 |
| Heavy Atoms | 18 |
| Complexity | 444.46445 |
Chemical Identifiers
| CAS Number | 428873-88-5 |
|---|---|
| SMILES | C/C(=C(/C#N)\S/C(=C(\C(=O)OC)/C(F)(F)F)/F)/N |
Product Overview
Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate (CAS 428873-88-5), with molecular formula C9H8F4N2O2S and molecular weight 284.02 g/mol. IUPAC: methyl (E)-3-[(E)-2-amino-1-cyanoprop-1-enyl]sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
Property Insights of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate
The XLogP value of 2.34978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The CAS number of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate is 428873-88-5.
What is the molecular formula of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The molecular formula of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate is C9H8F4N2O2S.
What is the molecular weight of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
The molecular weight of Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate is 284.02 g/mol.
Where can I buy Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
You can request a quote for Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-amino-1-cyano-prop-1-enyl)sulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.