TL;DR: 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid (CAS 147-56-8) is a chemical compound with molecular formula C9H10I2N2O2 and molecular weight 431.88318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid
Also Known As: BETAMINE, 3-amino-3-(5-amino-2,4-diiodophenyl)propanoic acid, beta-(5-Amino-2,4-diiodophenyl)-alanin [WHO-DD], Hydrocinnamic acid, beta,5-diamino-2,4-diiodo-, Benzenepropanoic acid, beta,5-diamino-2,4-diiodo-
| Molecular Formula | C9H10I2N2O2 |
| Molecular Weight | 431.88318 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.88318 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | C1=C(C(=CC(=C1N)I)I)C(CC(=O)O)N |
| InChIKey | YJQGRXHEUNKDKJ-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid is 147-56-8.
The molecular formula of 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid is C9H10I2N2O2.
The molecular weight of 3-Amino-3-(5-amino-2,4-diiodophenyl)propanoic acid is 431.88318 g/mol.
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