2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile
TL;DR: 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile (CAS 305372-80-9) is a chemical compound with molecular formula C19H14N4O2 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]propanedinitrile
Also Known As: BAS 01260616, J2.941.665F, F0388-0075, 2-[(2-METHYL-1H-INDOL-3-YL)(4-NITROPHENYL)METHYL]PROPANEDINITRILE, AF-399/12854058
| Molecular Formula | C19H14N4O2 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 4.17978 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11166 |
| Heavy Atoms | 25 |
| Complexity | 1008.2441 |
Chemical Identifiers
| CAS Number | 305372-80-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C#N |
Product Overview
2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile (CAS 305372-80-9), with molecular formula C19H14N4O2 and molecular weight 330.11 g/mol. IUPAC: 2-[(2-methyl-1H-indol-3-yl)-(4-nitrophenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile
Property Insights of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile
The XLogP value of 4.17978 indicates that 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile. Following Lipinski's Rule of Five, 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile has 1 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-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile?
The CAS number of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile is 305372-80-9.
What is the molecular formula of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile?
The molecular formula of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile is C19H14N4O2.
What is the molecular weight of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile?
The molecular weight of 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile is 330.11 g/mol.
Where can I buy 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile?
You can request a quote for 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-methyl-1H-indol-3-yl)(4-nitrophenyl)methyl)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.