TL;DR: RefChem:1074181 (CAS 116989-89-0) is a chemical compound with molecular formula C25H21N5O3 and molecular weight 439.16443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-indolo[3,2-b]quinoxalin-6-ylacetamide
Also Known As: 6H-Indolo(2,3-b)quinoxaline-6-acetic acid, ((3,4-dimethoxyphenyl)methylene)hydrazide
| Molecular Formula | C25H21N5O3 |
| Molecular Weight | 439.16443 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.16443 Da |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)OC |
| InChIKey | GGQKVKBEEYAGJZ-VULFUBBASA-N |
The XLogP value of 3.8 indicates that RefChem:1074181 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074181. Following Lipinski's Rule of Five, RefChem:1074181 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:1074181 is 116989-89-0.
The molecular formula of RefChem:1074181 is C25H21N5O3.
The molecular weight of RefChem:1074181 is 439.16443 g/mol.
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