4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
TL;DR: 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone (CAS 3176-88-3) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-diamino-2-butylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone
Also Known As: 2,3-ANTHRACENEDICARBOXIMIDE, 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-butylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone, 4,11-Diamino-2-butyl-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-Diamino-2-butyl-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetrone
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 3176-88-3 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | UGXWOQHRUHXYIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone (CAS 3176-88-3), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: 4,11-diamino-2-butylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone.
Chemical Property Profile of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
Property Insights of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone. Following Lipinski's Rule of Five, 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone has 2 hydrogen bond donor(s) and 6 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 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone?
The CAS number of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone is 3176-88-3.
What is the molecular formula of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone?
The molecular formula of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone is C20H17N3O4.
What is the molecular weight of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone?
The molecular weight of 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone is 363.12 g/mol.
Where can I buy 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone?
You can request a quote for 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.