4,4'-Iminobisbenzonitrile
TL;DR: 4,4'-Iminobisbenzonitrile (CAS 36602-05-8) is a chemical compound with molecular formula C14H9N3 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyanoanilino)benzonitrile
Also Known As: 4,4'-Iminobisbenzonitrile, 4-(4-cyanoanilino)benzonitrile, 4,4'-Azanediyldibenzonitrile, bis(4cyanophenyl)amine, 4,4'-iminodibenzonitrile
| Molecular Formula | C14H9N3 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.07965 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 36602-05-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)C#N |
| InChIKey | LTCYVXGIJJJJND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Iminobisbenzonitrile (CAS 36602-05-8), with molecular formula C14H9N3 and molecular weight 219.08 g/mol. IUPAC: 4-(4-cyanoanilino)benzonitrile.
Chemical Property Profile of 4,4'-Iminobisbenzonitrile
Property Insights of 4,4'-Iminobisbenzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Iminobisbenzonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 4,4'-Iminobisbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Iminobisbenzonitrile 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 4,4'-Iminobisbenzonitrile?
The CAS number of 4,4'-Iminobisbenzonitrile is 36602-05-8.
What is the molecular formula of 4,4'-Iminobisbenzonitrile?
The molecular formula of 4,4'-Iminobisbenzonitrile is C14H9N3.
What is the molecular weight of 4,4'-Iminobisbenzonitrile?
The molecular weight of 4,4'-Iminobisbenzonitrile is 219.08 g/mol.
Where can I buy 4,4'-Iminobisbenzonitrile?
You can request a quote for 4,4'-Iminobisbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Iminobisbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Iminobisbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.