RefChem:438812
TL;DR: RefChem:438812 (CAS 65138-79-6) is a chemical compound with molecular formula C22H9N3O8 and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dinitro-9,10-dioxoanthracen-1-yl)isoindole-1,3-dione
Also Known As: Phthalimide, N-(4,5-dinitroanthraquinonyl)-, 1H-Isoindole-1,3(2H)-dione, 2-(9,10-dihydro-4,5-dinitro-9,10-dioxo-1-anthracenyl)-, 2-(4,5-dinitro-9,10-dioxoanthracen-1-yl)isoindole-1,3-dione, 2-(4,5-Dinitro-9,10-dioxo-9,10-dihydroanthracen-1-yl)-1H-isoindole-1,3(2H)-dione, 2-[(9,10-Dihydro-4,5-dinitro-9,10-dioxoanthracen)-1-yl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C22H9N3O8 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 443.03897 |
| Heavy Atoms | 33 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 65138-79-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=C(C4=O)C=CC=C5[N+](=O)[O-] |
| InChIKey | HZUXLYDHMMOULV-UHFFFAOYSA-N |
Product Overview
RefChem:438812 (CAS 65138-79-6), with molecular formula C22H9N3O8 and molecular weight 443.04 g/mol. IUPAC: 2-(4,5-dinitro-9,10-dioxoanthracen-1-yl)isoindole-1,3-dione.
Chemical Property Profile of RefChem:438812
Property Insights of RefChem:438812
The XLogP value of 3.1 indicates that RefChem:438812 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:438812 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438812 has 0 hydrogen bond donor(s) and 8 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 RefChem:438812?
The CAS number of RefChem:438812 is 65138-79-6.
What is the molecular formula of RefChem:438812?
The molecular formula of RefChem:438812 is C22H9N3O8.
What is the molecular weight of RefChem:438812?
The molecular weight of RefChem:438812 is 443.04 g/mol.
Where can I buy RefChem:438812?
You can request a quote for RefChem:438812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438812?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.