TL;DR: Dichloroarcyriaflavin A (CAS 118458-56-3) is a chemical compound with molecular formula C20H9Cl2N3O2 and molecular weight 393.00717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,21-dichloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: Dichloroarcyriaflavin A, Indolocarbazole, dichloro[?]dione, Rebeccamycin aglycon, rebeccamycin aglycone
| Molecular Formula | C20H9Cl2N3O2 |
| Molecular Weight | 393.00717 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 393.00717 Da |
| Heavy Atoms | 27 |
| Complexity | 634.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C(=CC=C6)Cl |
| InChIKey | ZGCSNRKSJLVANE-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Dichloroarcyriaflavin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloroarcyriaflavin A. Following Lipinski's Rule of Five, Dichloroarcyriaflavin A has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dichloroarcyriaflavin A is 118458-56-3.
The molecular formula of Dichloroarcyriaflavin A is C20H9Cl2N3O2.
The molecular weight of Dichloroarcyriaflavin A is 393.00717 g/mol.
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