TL;DR: 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate (CAS 152218-61-6) is a chemical compound with molecular formula C8H17N2O6P and molecular weight 268.08243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-phosphonooxypropyl)piperazine-2-carboxylic acid
Also Known As: Cpp-phosphate, 4-(3-phosphonooxypropyl)piperazine-2-carboxylic acid, (+)-4-(3-(Phosphonooxy)propyl)-2-piperazinecarboxylic acid, 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate, 2-Piperazinecarboxylicacid, 4-[3-(phosphonooxy)propyl]-, (+)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H17N2O6P |
| Molecular Weight | 268.08243 g/mol |
| XLogP | -6.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.08243 Da |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| SMILES | C1CN(CC(N1)C(=O)O)CCCOP(=O)(O)O |
| InChIKey | MQWVXXULFGMJBY-UHFFFAOYSA-N |
The XLogP value of -6.7 indicates that 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate. Following Lipinski's Rule of Five, 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate is 152218-61-6.
The molecular formula of 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate is C8H17N2O6P.
The molecular weight of 3-(2-Carboxypiperazine-4-yl)propyl-1-phosphate is 268.08243 g/mol.
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