(5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile
TL;DR: (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile (CAS 848754-72-3) is a chemical compound with molecular formula C12H6FN3O and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-fluoro-1-methyl-2-oxoindol-3-ylidene)propanedinitrile
Also Known As: 2-(5-fluoro-1-methyl-2-oxoindol-3-ylidene)propanedinitrile, 2-(5-fluoro-1-methyl-2-oxoindolin-3-ylidene)malononitrile, (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile
| Molecular Formula | C12H6FN3O |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 1.60286 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.04948 |
| Heavy Atoms | 17 |
| Complexity | 618.13135 |
Chemical Identifiers
| CAS Number | 848754-72-3 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)F)C(=C(C#N)C#N)C1=O |
Product Overview
(5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile (CAS 848754-72-3), with molecular formula C12H6FN3O and molecular weight 227.05 g/mol. IUPAC: 2-(5-fluoro-1-methyl-2-oxoindol-3-ylidene)propanedinitrile.
Chemical Property Profile of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile
Property Insights of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile
The XLogP value of 1.60286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile. Following Lipinski's Rule of Five, (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile 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 (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile?
The CAS number of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile is 848754-72-3.
What is the molecular formula of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile?
The molecular formula of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile is C12H6FN3O.
What is the molecular weight of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile?
The molecular weight of (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile is 227.05 g/mol.
Where can I buy (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile?
You can request a quote for (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-fluoro-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.