1,3-Diiminobenz(f)isoindoline
TL;DR: 1,3-Diiminobenz(f)isoindoline (CAS 65558-69-2) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iminobenzo[f]isoindol-1-amine
Also Known As: 1,3-Diiminobenz[f]isoindoline, 1,3-Diiminobenz(f)isoindoline, 3-iminobenzo[f]isoindol-1-amine, 1H-Benzo[f]isoindole-1,3(2H)-diimine, VIOLET23
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 65558-69-2 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C(=NC3=N)N |
| InChIKey | JAWNWEKHDFBPSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diiminobenz(f)isoindoline (CAS 65558-69-2), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 3-iminobenzo[f]isoindol-1-amine.
Chemical Property Profile of 1,3-Diiminobenz(f)isoindoline
Property Insights of 1,3-Diiminobenz(f)isoindoline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diiminobenz(f)isoindoline. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diiminobenz(f)isoindoline. Following Lipinski's Rule of Five, 1,3-Diiminobenz(f)isoindoline has 2 hydrogen bond donor(s) and 1 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-Diiminobenz(f)isoindoline?
The CAS number of 1,3-Diiminobenz(f)isoindoline is 65558-69-2.
What is the molecular formula of 1,3-Diiminobenz(f)isoindoline?
The molecular formula of 1,3-Diiminobenz(f)isoindoline is C12H9N3.
What is the molecular weight of 1,3-Diiminobenz(f)isoindoline?
The molecular weight of 1,3-Diiminobenz(f)isoindoline is 195.08 g/mol.
Where can I buy 1,3-Diiminobenz(f)isoindoline?
You can request a quote for 1,3-Diiminobenz(f)isoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diiminobenz(f)isoindoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diiminobenz(f)isoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.