(E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile
TL;DR: (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile (CAS 28995-73-5) is a chemical compound with molecular formula C10H8INO2S and molecular weight 332.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile, (2E)-2-Iodo-3-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
| Molecular Formula | C10H8INO2S |
|---|---|
| Molecular Weight | 332.93 g/mol |
| LogP | 2.5687 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.93204 |
| Heavy Atoms | 15 |
| Complexity | 523.53595 |
Chemical Identifiers
| CAS Number | 28995-73-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C=C(\C#N)/I |
Product Overview
(E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile (CAS 28995-73-5), with molecular formula C10H8INO2S and molecular weight 332.93 g/mol. IUPAC: (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile
Property Insights of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile
The XLogP value of 2.5687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile. With a topological polar surface area (TPSA) of 57.93 Ų, (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The CAS number of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile is 28995-73-5.
What is the molecular formula of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The molecular formula of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile is C10H8INO2S.
What is the molecular weight of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
The molecular weight of (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile is 332.93 g/mol.
Where can I buy (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
You can request a quote for (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-iodo-3-(4-methylphenyl)sulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.