TL;DR: N-2-Propen-1-yladenosine (CAS 15763-12-9) is a chemical compound with molecular formula C13H17N5O4 and molecular weight 307.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
Also Known As: N-Allyladenosine, N6-Allyladenosine, N6-allyl adenosine, N-2-propenyl-adenosine, Adenosine, N-2-propenyl-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H17N5O4 |
| Molecular Weight | 307.12805 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.12805 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | C=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | WTYYPLSFICPDGL-QYVSTXNMSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-Propen-1-yladenosine. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-2-Propen-1-yladenosine. Following Lipinski's Rule of Five, N-2-Propen-1-yladenosine 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 N-2-Propen-1-yladenosine is 15763-12-9.
The molecular formula of N-2-Propen-1-yladenosine is C13H17N5O4.
The molecular weight of N-2-Propen-1-yladenosine is 307.12805 g/mol.
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