2-(9-Anthracenylmethylene)propanedinitrile
TL;DR: 2-(9-Anthracenylmethylene)propanedinitrile (CAS 55490-87-4) is a chemical compound with molecular formula C18H10N2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anthracen-9-ylmethylidene)propanedinitrile
Also Known As: (9-Anthrylmethylene)malononitrile, 2-(Anthracen-9-ylmethylene)malononitrile, 9-Anthrylidenemalononitrile, MALONONITRILE, 9-dicyanovinylanthracene
| Molecular Formula | C18H10N2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.0844 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 55490-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N |
| InChIKey | RDMANBWYQHJIFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(9-Anthracenylmethylene)propanedinitrile (CAS 55490-87-4), with molecular formula C18H10N2 and molecular weight 254.08 g/mol. IUPAC: 2-(anthracen-9-ylmethylidene)propanedinitrile.
Chemical Property Profile of 2-(9-Anthracenylmethylene)propanedinitrile
Property Insights of 2-(9-Anthracenylmethylene)propanedinitrile
The XLogP value of 4.8 indicates that 2-(9-Anthracenylmethylene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(9-Anthracenylmethylene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(9-Anthracenylmethylene)propanedinitrile has 0 hydrogen bond donor(s) and 2 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-(9-Anthracenylmethylene)propanedinitrile?
The CAS number of 2-(9-Anthracenylmethylene)propanedinitrile is 55490-87-4.
What is the molecular formula of 2-(9-Anthracenylmethylene)propanedinitrile?
The molecular formula of 2-(9-Anthracenylmethylene)propanedinitrile is C18H10N2.
What is the molecular weight of 2-(9-Anthracenylmethylene)propanedinitrile?
The molecular weight of 2-(9-Anthracenylmethylene)propanedinitrile is 254.08 g/mol.
Where can I buy 2-(9-Anthracenylmethylene)propanedinitrile?
You can request a quote for 2-(9-Anthracenylmethylene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9-Anthracenylmethylene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(9-Anthracenylmethylene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.