2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile
TL;DR: 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile (CAS 1025260-29-0) is a chemical compound with molecular formula C13H15FN2O2S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile
Also Known As: 2-tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile, 2-((TERT-BUTYL)SULFONYL)-3-((4-FLUOROPHENYL)AMINO)PROP-2-ENENITRILE, 3-[(4-fluorophenyl)amino]-2-tert-butylsulfonyl-prop-2-enenitrile, C13H15FN2O2S
| Molecular Formula | C13H15FN2O2S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 2.81588 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08383 |
| Heavy Atoms | 19 |
| Complexity | 620.09247 |
Chemical Identifiers
| CAS Number | 1025260-29-0 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=CNC1=CC=C(C=C1)F)C#N |
Product Overview
2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile (CAS 1025260-29-0), with molecular formula C13H15FN2O2S and molecular weight 282.08 g/mol. IUPAC: 2-tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile.
Chemical Property Profile of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile
Property Insights of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile
The XLogP value of 2.81588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile has 1 hydrogen bond donor(s) and 4 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 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile?
The CAS number of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile is 1025260-29-0.
What is the molecular formula of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile?
The molecular formula of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile is C13H15FN2O2S.
What is the molecular weight of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile?
The molecular weight of 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile is 282.08 g/mol.
Where can I buy 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile?
You can request a quote for 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butylsulfonyl-3-(4-fluoroanilino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.