3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile
TL;DR: 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile (CAS 1024745-48-9) is a chemical compound with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-3-methylsulfanyl-2-(4-propan-2-ylphenyl)sulfonylprop-2-enenitrile
Also Known As: 2-((4-(ISOPROPYL)PHENYL)SULFONYL)-3-METHYLTHIO-3-(PHENYLAMINO)PROP-2-ENENITRILE, 3-anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile, 3-anilino-3-methylsulfanyl-2-(4-propan-2-ylphenyl)sulfonylprop-2-enenitrile, 3-anilino-3-methylsulfanyl-2-(4-propan-2-ylphenyl)sulfonyl-prop-2-enenitrile
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.75148 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.09662 |
| Heavy Atoms | 25 |
| Complexity | 894.6903 |
Chemical Identifiers
| CAS Number | 1024745-48-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)C(=C(NC2=CC=CC=C2)SC)C#N |
Product Overview
3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile (CAS 1024745-48-9), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: 3-anilino-3-methylsulfanyl-2-(4-propan-2-ylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile
Property Insights of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile
The XLogP value of 4.75148 indicates that 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile has 1 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 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile?
The CAS number of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile is 1024745-48-9.
What is the molecular formula of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile?
The molecular formula of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile is C19H20N2O2S2.
What is the molecular weight of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile?
The molecular weight of 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile is 372.10 g/mol.
Where can I buy 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile?
You can request a quote for 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-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 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-(4-isopropylphenyl)sulfonyl-3-methylsulfanyl-prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.