TL;DR: 2,3-Dahpic (CAS 117085-60-6) is a chemical compound with molecular formula C25H33N2O6P and molecular weight 488.2076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid
Also Known As: 2,3-Dahpic, (2S)-1-[(2S)-6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid, 2,3-Dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1H-indole-2-carboxylic acid, (S-(R*,R*))-1-(6-Amino-2-((hydroxy(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-2,3-dihydro-1H-indole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 1-(6-amino-2-((hydroxy(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-2,3-dihydro-, (S-(R*,R*))-
| Molecular Formula | C25H33N2O6P |
| Molecular Weight | 488.2076 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 488.2076 Da |
| Heavy Atoms | 34 |
| Complexity | 714.0 |
| SMILES | C1[C@H](N(C2=CC=CC=C21)C(=O)[C@H](CCCCN)OP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O |
| InChIKey | YNBOYTXJMIRRSS-GOTSBHOMSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dahpic. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dahpic. Following Lipinski's Rule of Five, 2,3-Dahpic has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Dahpic is 117085-60-6.
The molecular formula of 2,3-Dahpic is C25H33N2O6P.
The molecular weight of 2,3-Dahpic is 488.2076 g/mol.
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