![2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile structure](/static/products/4778/477848-99-0.webp)
2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile
TL;DR: 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile (CAS 477848-99-0) is a chemical compound with molecular formula C19H13N3O2S and molecular weight 347.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]propanedinitrile
Also Known As: 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile, 2-{[1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]methylidene}propanedinitrile, 10R-0630, 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]propanedinitrile, 2-[[1-(p-tolylsulfonyl)indol-3-yl]methylene]propanedinitrile
| Molecular Formula | C19H13N3O2S |
|---|---|
| Molecular Weight | 347.07 g/mol |
| LogP | 3.61728 |
| Topological Polar Surface Area | 86.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.07285 |
| Heavy Atoms | 25 |
| Complexity | 1156.1177 |
Chemical Identifiers
| CAS Number | 477848-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C(C#N)C#N |
Product Overview
2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile (CAS 477848-99-0), with molecular formula C19H13N3O2S and molecular weight 347.07 g/mol. IUPAC: 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile
Property Insights of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile
The XLogP value of 3.61728 indicates that 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile. Following Lipinski's Rule of Five, 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile 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 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile?
The CAS number of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile is 477848-99-0.
What is the molecular formula of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile?
The molecular formula of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile is C19H13N3O2S.
What is the molecular weight of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile?
The molecular weight of 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile is 347.07 g/mol.
Where can I buy 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile?
You can request a quote for 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.