![(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile structure](/static/products/1313/1313612-89-3.webp)
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
TL;DR: (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile (CAS 1313612-89-3) is a chemical compound with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
Also Known As: ML136 Analog, Maybridge3_006572, IDI1_017959, (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile, (E)-2-(Methylsulfonyl)-3-(1-(phenylsulfonyl)-1H-pyrrol-2-yl)acrylonitrile
| Molecular Formula | C14H12N2O4S2 |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 1.63418 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.02383 |
| Heavy Atoms | 22 |
| Complexity | 963.3502 |
Chemical Identifiers
| CAS Number | 1313612-89-3 |
|---|---|
| SMILES | CS(=O)(=O)/C(=C/C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)/C#N |
Product Overview
(E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile (CAS 1313612-89-3), with molecular formula C14H12N2O4S2 and molecular weight 336.02 g/mol. IUPAC: (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
Property Insights of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile
The XLogP value of 1.63418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile?
The CAS number of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile is 1313612-89-3.
What is the molecular formula of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile?
The molecular formula of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile is C14H12N2O4S2.
What is the molecular weight of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile?
The molecular weight of (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile is 336.02 g/mol.
Where can I buy (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile?
You can request a quote for (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-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)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[1-(benzenesulfonyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.