TL;DR: 2'-Decarboxy-2'-aminostreptonigrin (CAS 143139-76-8) is a chemical compound with molecular formula C24H23N5O6 and molecular weight 477.16483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-amino-2-[3,6-diamino-4-(2-hydroxy-3,4-dimethoxyphenyl)-5-methyl-2-pyridinyl]-6-methoxyquinoline-5,8-dione
Also Known As: Streptonigrone-2'-imine, Streptonigrone-2/'-imine, 2'-Decarboxy-2'-aminostreptonigrin, 2 -Decarboxy-2 -aminostreptonigrin, 2-[[5-Amino-2-imino-1,2-dihydro-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridin]-6-yl]-7-amino-6-methoxyquinoline-5,8-dione
| Molecular Formula | C24H23N5O6 |
| Molecular Weight | 477.16483 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.16483 Da |
| Heavy Atoms | 35 |
| Complexity | 854.0 |
| SMILES | CC1=C(C(=C(N=C1N)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| InChIKey | CYKOQAVJWDWKEQ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Decarboxy-2'-aminostreptonigrin. The TPSA of 186.0 Ų indicates high polarity, suggesting 2'-Decarboxy-2'-aminostreptonigrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Decarboxy-2'-aminostreptonigrin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-Decarboxy-2'-aminostreptonigrin is 143139-76-8.
The molecular formula of 2'-Decarboxy-2'-aminostreptonigrin is C24H23N5O6.
The molecular weight of 2'-Decarboxy-2'-aminostreptonigrin is 477.16483 g/mol.
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