(E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile
TL;DR: (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile (CAS 175201-71-5) is a chemical compound with molecular formula C8H13NO3S and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-ethoxy-2-propan-2-ylsulfonylprop-2-enenitrile
Also Known As: 3-ethoxy-2-(isopropylsulfonyl)acrylonitrile, (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile, (E)-3-ethoxy-2-propan-2-ylsulfonylprop-2-enenitrile, 3-ethoxy-2-(isopropylsulphonyl)acrylonitrile, 3-ethoxy-2-propan-2-ylsulfonylprop-2-enenitrile
| Molecular Formula | C8H13NO3S |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.21108 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.06161 |
| Heavy Atoms | 13 |
| Complexity | 321.7885 |
Chemical Identifiers
| CAS Number | 175201-71-5 |
|---|---|
| SMILES | CCO/C=C(\C#N)/S(=O)(=O)C(C)C |
Product Overview
(E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile (CAS 175201-71-5), with molecular formula C8H13NO3S and molecular weight 203.06 g/mol. IUPAC: (E)-3-ethoxy-2-propan-2-ylsulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile
Property Insights of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile
The XLogP value of 1.21108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile. Following Lipinski's Rule of Five, (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile 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 (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile?
The CAS number of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile is 175201-71-5.
What is the molecular formula of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile?
The molecular formula of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile is C8H13NO3S.
What is the molecular weight of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile?
The molecular weight of (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile is 203.06 g/mol.
Where can I buy (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile?
You can request a quote for (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-Ethoxy-2-(propane-2-sulfonyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.