Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-
TL;DR: Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- (CAS 57232-94-7) is a chemical compound with molecular formula C16H11N3 and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylbenzo[cd]indol-2-ylidene)propanedinitrile
Also Known As: (1-Ethylbenz(cd)indol-2(1H)-ylidene)malononitrile, [1-Ethylbenz[cd]indol-2(1H)-ylidene]malononitrile, [1-ethylbenz[cd]indol-2 -ylidene]malononitrile, (1-Ethylbenz(cd)indol-2(1H)-ylidene)propanedinitrile, Propanedinitrile, (1-ethylbenz(cd)indol-2(1H)-ylidene)-
| Molecular Formula | C16H11N3 |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.09529 |
| Heavy Atoms | 19 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 57232-94-7 |
|---|---|
| SMILES | CCN1C2=CC=CC3=C2C(=CC=C3)C1=C(C#N)C#N |
| InChIKey | RSMGAXDNPYPPHB-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- (CAS 57232-94-7), with molecular formula C16H11N3 and molecular weight 245.10 g/mol. IUPAC: 2-(1-ethylbenzo[cd]indol-2-ylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-
Property Insights of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-
The XLogP value of 3.2 indicates that Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- 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 Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-?
The CAS number of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- is 57232-94-7.
What is the molecular formula of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-?
The molecular formula of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- is C16H11N3.
What is the molecular weight of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-?
The molecular weight of Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- is 245.10 g/mol.
Where can I buy Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-?
You can request a quote for Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-(1-ethylbenz(cd)indol-2(1H)-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.