2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile
TL;DR: 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile (CAS 175201-67-9) is a chemical compound with molecular formula C9H15NO3S and molecular weight 217.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile
Also Known As: 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile, 2-Bromo-5-(isoxazol-5-yl)thiophene, 2-(tert-Butylsulphonyl)-3-ethoxyacrylonitrile, (E)-2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile, 2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile
| Molecular Formula | C9H15NO3S |
|---|---|
| Molecular Weight | 217.08 g/mol |
| LogP | 1.60118 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.07727 |
| Heavy Atoms | 14 |
| Complexity | 354.49875 |
Chemical Identifiers
| CAS Number | 175201-67-9 |
|---|---|
| SMILES | CCO/C=C(\C#N)/S(=O)(=O)C(C)(C)C |
Product Overview
2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile (CAS 175201-67-9), with molecular formula C9H15NO3S and molecular weight 217.08 g/mol. IUPAC: (E)-2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile.
Chemical Property Profile of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile
Property Insights of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile
The XLogP value of 1.60118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile. Following Lipinski's Rule of Five, 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile has 0 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-ethoxyacrylonitrile?
The CAS number of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile is 175201-67-9.
What is the molecular formula of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile?
The molecular formula of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile is C9H15NO3S.
What is the molecular weight of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile?
The molecular weight of 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile is 217.08 g/mol.
Where can I buy 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile?
You can request a quote for 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile 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-ethoxyacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylsulfonyl)-3-ethoxyacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.