3-Ethoxy-2-(propylsulfonyl)acrylonitrile
TL;DR: 3-Ethoxy-2-(propylsulfonyl)acrylonitrile (CAS 175201-52-2) 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.
3-ethoxy-2-propylsulfonylprop-2-enenitrile
Also Known As: 3-ethoxy-2-(propylsulfonyl)acrylonitrile, 3-ethoxy-2-propylsulfonylprop-2-enenitrile, 2-Propenenitrile,3-ethoxy-2-(propylsulfonyl)-, 2-Propenenitrile, 3-ethoxy-2-(propylsulfonyl)-, 3-ETHOXY-2-(PROPANE-1-SULFONYL)PROP-2-ENENITRILE
| Molecular Formula | C8H13NO3S |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.21268 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.06161 |
| Heavy Atoms | 13 |
| Complexity | 310.77106 |
Chemical Identifiers
| CAS Number | 175201-52-2 |
|---|---|
| SMILES | CCCS(=O)(=O)C(=COCC)C#N |
Product Overview
3-Ethoxy-2-(propylsulfonyl)acrylonitrile (CAS 175201-52-2), with molecular formula C8H13NO3S and molecular weight 203.06 g/mol. IUPAC: 3-ethoxy-2-propylsulfonylprop-2-enenitrile.
Chemical Property Profile of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile
Property Insights of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile
The XLogP value of 1.21268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-2-(propylsulfonyl)acrylonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-2-(propylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, 3-Ethoxy-2-(propylsulfonyl)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 3-Ethoxy-2-(propylsulfonyl)acrylonitrile?
The CAS number of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile is 175201-52-2.
What is the molecular formula of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile?
The molecular formula of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile is C8H13NO3S.
What is the molecular weight of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile?
The molecular weight of 3-Ethoxy-2-(propylsulfonyl)acrylonitrile is 203.06 g/mol.
Where can I buy 3-Ethoxy-2-(propylsulfonyl)acrylonitrile?
You can request a quote for 3-Ethoxy-2-(propylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-2-(propylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2-(propylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.