1-Aminopyrene-4,5-dione
TL;DR: 1-Aminopyrene-4,5-dione (CAS 13233-86-8) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminopyrene-4,5-dione
Also Known As: 1-aminopyrene-4,5-dione, 4,5-Pyrenedione,1-amino-, 4,5-Pyrenedione,1-amino
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.06332 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 13233-86-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)C(=O)C4=C3C(=C(C=C4)N)C=C2 |
| InChIKey | AQEFFYFQOCKMPO-UHFFFAOYSA-N |
Product Overview
1-Aminopyrene-4,5-dione (CAS 13233-86-8), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 1-aminopyrene-4,5-dione.
Chemical Property Profile of 1-Aminopyrene-4,5-dione
Property Insights of 1-Aminopyrene-4,5-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aminopyrene-4,5-dione. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Aminopyrene-4,5-dione. Following Lipinski's Rule of Five, 1-Aminopyrene-4,5-dione 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 1-Aminopyrene-4,5-dione?
The CAS number of 1-Aminopyrene-4,5-dione is 13233-86-8.
What is the molecular formula of 1-Aminopyrene-4,5-dione?
The molecular formula of 1-Aminopyrene-4,5-dione is C16H9NO2.
What is the molecular weight of 1-Aminopyrene-4,5-dione?
The molecular weight of 1-Aminopyrene-4,5-dione is 247.06 g/mol.
Where can I buy 1-Aminopyrene-4,5-dione?
You can request a quote for 1-Aminopyrene-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aminopyrene-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Aminopyrene-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.