TL;DR: (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- (CAS 112241-67-5) is a chemical compound with molecular formula C22H22N4O6 and molecular weight 438.15393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propanoic acid
Also Known As: (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy-, 2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propanoic acid
| Molecular Formula | C22H22N4O6 |
| Molecular Weight | 438.15393 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.15393 Da |
| Heavy Atoms | 32 |
| Complexity | 710.0 |
| SMILES | C1=CC(=C(C2=C1NC=C2CC(C(=O)O)N)C3=C(C=CC4=C3C(=C(N4)N)CCC(=O)O)O)O |
| InChIKey | GYEVEHYEIWMLJO-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- is 112241-67-5.
The molecular formula of (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- is C22H22N4O6.
The molecular weight of (4,4'-Bi-1H-indole)-3,3'-dipropanoic acid, alpha,alpha'-diamino-5,5'-dihydroxy- is 438.15393 g/mol.
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