TL;DR: Adenosine, N-(3-methyl-3-butenyl)- (CAS 165315-03-7) is a chemical compound with molecular formula C15H21N5O4 and molecular weight 335.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-5-[6-(3-methylbut-3-enylamino)purin-9-yl]oxolane-3,4-diol
Also Known As: 3iPA, N6-Isopentenyladenosine, Adenosine, N-(3-methyl-3-butenyl)-, N6-(., A.3-Isopentenyl)adenosine
| Molecular Formula | C15H21N5O4 |
| Molecular Weight | 335.15936 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.15936 Da |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
| SMILES | CC(=C)CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O |
| InChIKey | XKOPXXUOWZQFQE-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adenosine, N-(3-methyl-3-butenyl)-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine, N-(3-methyl-3-butenyl)-. Following Lipinski's Rule of Five, Adenosine, N-(3-methyl-3-butenyl)- 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 Adenosine, N-(3-methyl-3-butenyl)- is 165315-03-7.
The molecular formula of Adenosine, N-(3-methyl-3-butenyl)- is C15H21N5O4.
The molecular weight of Adenosine, N-(3-methyl-3-butenyl)- is 335.15936 g/mol.
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