1,3-dihydro-2H-indol-2-ylidenepropanedinitrile
TL;DR: 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile (CAS 156774-76-4) is a chemical compound with molecular formula C11H7N3 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dihydroindol-2-ylidene)propanedinitrile
Also Known As: 2-(indolin-2-ylidene)malononitrile, 2-dicyanomethylene-2,3-dihydroindole, 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile, 2-(1,3-dihydroindol-2-ylidene)propanedinitrile, Propanedinitrile, 2-(1,3-dihydro-2H-indol-2-ylidene)-
| Molecular Formula | C11H7N3 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.95586 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.064 |
| Heavy Atoms | 14 |
| Complexity | 442.9895 |
Chemical Identifiers
| CAS Number | 156774-76-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2NC1=C(C#N)C#N |
Product Overview
1,3-dihydro-2H-indol-2-ylidenepropanedinitrile (CAS 156774-76-4), with molecular formula C11H7N3 and molecular weight 181.06 g/mol. IUPAC: 2-(1,3-dihydroindol-2-ylidene)propanedinitrile.
Chemical Property Profile of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile
Property Insights of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile
The XLogP value of 1.95586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile has 1 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 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile?
The CAS number of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile is 156774-76-4.
What is the molecular formula of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile?
The molecular formula of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile is C11H7N3.
What is the molecular weight of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile?
The molecular weight of 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile is 181.06 g/mol.
Where can I buy 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile?
You can request a quote for 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.