(2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
TL;DR: (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 129200-97-1) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile
Also Known As: trans-cinnamic acid-(N'-phenyl-hydrazide), J1.318.867J, J2.444.002H, 2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile, 2-(Phenylsulfonyl)-3-(4-methylphenyl)acrylonitrile
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 3.3334 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 767.4766 |
Chemical Identifiers
| CAS Number | 129200-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 129200-97-1), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
Property Insights of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
The XLogP value of 3.3334 indicates that (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-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 (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The CAS number of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is 129200-97-1.
What is the molecular formula of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular formula of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is C16H13NO2S.
What is the molecular weight of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular weight of (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is 283.07 g/mol.
Where can I buy (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
You can request a quote for (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)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 (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-methylphenyl)-2-(phenylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.